 Entering Gaussian System, Link 0=g16
 Input=30_ibuprofen_conformer03_STD_M11_def2SVPD.in
 Output=30_ibuprofen_conformer03_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/Gau-39292.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/30_conformer04/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     39307.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                 8-Sep-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=48GB
 %chk=30_ibuprofen_conformer03_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "30_ibuprofen_conformer03_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.859135000000     -0.797445000000      1.307905000000
  C                                                 1.475419000000     -0.773087000000      0.059735000000
  C                                                -0.519198000000     -0.667837000000      1.430715000000
  C                                                -1.322882000000     -0.517669000000      0.305982000000
  C                                                -0.712213000000     -0.493664000000     -0.948233000000
  C                                                 0.663373000000     -0.619230000000     -1.065423000000
  C                                                 2.970409000000     -0.867475000000     -0.082211000000
  C                                                 3.653427000000      0.477889000000     -0.397780000000
  C                                                 5.142776000000      0.265827000000     -0.664323000000
  C                                                 3.434072000000      1.499169000000      0.716682000000
  C                                                -2.832871000000     -0.408434000000      0.441812000000
  C                                                -3.288620000000      0.891062000000     -0.193882000000
  O                                                -3.674162000000      1.023041000000     -1.326622000000
  O                                                -3.185052000000      1.931949000000      0.663544000000
  H                                                 1.465467000000     -0.914551000000      2.198032000000
  H                                                -0.973985000000     -0.684881000000      2.413842000000
  H                                                -1.317893000000     -0.368693000000     -1.836932000000
  H                                                 1.116639000000     -0.598906000000     -2.049722000000
  H                                                 3.214767000000     -1.574910000000     -0.879790000000
  H                                                 3.401771000000     -1.271409000000      0.838508000000
  H                                                 3.194988000000      0.870891000000     -1.312084000000
  H                                                 5.304831000000     -0.437524000000     -1.483935000000
  H                                                 5.641346000000     -0.134788000000      0.222807000000
  H                                                 5.634047000000      1.205490000000     -0.924389000000
  H                                                 3.868992000000      1.144050000000      1.655622000000
  H                                                 2.373464000000      1.684234000000      0.888790000000
  H                                                 3.908029000000      2.451247000000      0.470321000000
  H                                                -3.064982000000     -0.343640000000      1.505550000000
  C                                                -3.561082000000     -1.603695000000     -0.175784000000
  H                                                -3.441613000000      2.729075000000      0.173539000000
  H                                                -3.372170000000     -1.659027000000     -1.246468000000
  H                                                -4.638896000000     -1.523016000000     -0.028230000000
  H                                                -3.211554000000     -2.526025000000      0.287996000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     33 NQM=       33 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          16          16           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  15.9949146  15.9949146   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   5.6000000   5.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   8.0000000   8.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1          12           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           0           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   1.0000000

  Atom        31          32          33
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Wed Sep  8 12:29:37 2021, MaxMem=  6442450944 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.392238   0.000000
     3  C    1.389850   2.422635   0.000000
     4  C    2.417297   2.820703   1.390497   0.000000
     5  C    2.766148   2.424832   2.393112   1.395187   0.000000
     6  C    2.388047   1.396091   2.762525   2.415838   1.386267
     7  C    2.528795   1.504677   3.808695   4.324975   3.801504
     8  C    3.513390   2.553033   4.697540   5.123482   4.506188
     9  C    4.834233   3.879834   6.108917   6.584838   5.910865
    10  C    3.500612   3.071001   4.564439   5.183138   4.892341
    11  C    3.812133   4.340543   2.529486   1.520016   2.537061
    12  C    4.723377   5.052700   3.569199   2.469517   3.020660
    13  O    5.550287   5.627277   4.518382   3.250800   3.349136
    14  O    4.921406   5.422342   3.801870   3.097766   3.820518
    15  H    1.083364   2.142994   2.142087   3.392972   3.849470
    16  H    2.143851   3.398408   1.083356   2.143073   3.377667
    17  H    3.848802   3.400511   3.377117   2.148092   1.082706
    18  H    3.373334   2.146828   3.846317   3.392227   2.137534
    19  H    3.307486   2.133298   4.483716   4.807710   4.073690
    20  H    2.628683   2.136737   4.011110   4.813944   4.552164
    21  H    3.886373   2.746173   4.866807   4.995737   4.154590
    22  H    5.261951   4.142453   6.516713   6.865625   6.041105
    23  H    4.948343   4.217697   6.300435   6.975241   6.470536
    24  H    5.638676   4.709294   6.849693   7.271998   6.569833
    25  H    3.598548   3.457089   4.752865   5.615905   5.518116
    26  H    2.937274   2.744493   3.767415   4.341776   4.199916
    27  H    4.533354   4.059865   5.500126   6.016968   5.659632
    28  H    3.955211   4.784354   2.567435   2.122301   3.402805
    29  C    4.731775   5.109963   3.565070   2.533987   3.153554
    30  H    5.676228   6.037822   4.654032   3.879163   4.369673
    31  H    5.017080   5.098056   4.035990   2.812895   2.919313
    32  H    5.704389   6.160761   4.453287   3.481145   4.162308
    33  H    4.538580   5.009253   3.465177   2.756973   3.450429
                    6          7          8          9         10
     6  C    0.000000
     7  C    2.520069   0.000000
     8  C    3.254203   1.541461   0.000000
     9  C    4.583586   2.518413   1.527801   0.000000
    10  C    3.916668   2.540515   1.527467   2.519519   0.000000
    11  C    3.813124   5.844945   6.600193   8.080168   6.556606
    12  C    4.319585   6.502335   6.957320   8.467625   6.811278
    13  O    4.645373   7.019468   7.406315   8.874143   7.411395
    14  O    4.930336   6.803133   7.071456   8.596041   6.633470
    15  H    3.373530   2.732503   3.669373   4.807179   3.449036
    16  H    3.845847   4.671388   5.538068   6.913300   5.203979
    17  H    2.140890   4.660189   5.244224   6.596808   5.708855
    18  H    1.083839   2.716559   3.213050   4.344752   4.174375
    19  H    2.730823   1.093758   2.153773   2.674314   3.470847
    20  H    3.398399   1.094056   2.156799   2.766350   2.773443
    21  H    2.947944   2.141247   1.095705   2.139994   2.137238
    22  H    4.663829   2.756667   2.178267   1.092121   3.477533
    23  H    5.164730   2.786354   2.170789   1.093647   2.790302
    24  H    5.296895   3.478709   2.174759   1.091764   2.760299
    25  H    4.559521   2.806020   2.169493   2.788538   1.094017
    26  H    3.471211   2.794710   2.179182   3.477517   1.090303
    27  H    4.723784   3.492612   2.170844   2.754647   1.091687
    28  H    4.537233   6.262694   7.030974   8.511586   6.801173
    29  C    4.427940   6.573519   7.512085   8.915768   7.704313
    30  H    5.440320   7.356263   7.465510   8.970024   7.005906
    31  H    4.171278   6.496950   7.392273   8.749186   7.755842
    32  H    5.477833   7.637681   8.538314   9.964220   8.652243
    33  H    4.525778   6.411280   7.524743   8.859807   7.781408
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.516741   0.000000
    13  O    2.425747   1.203811   0.000000
    14  O    2.377097   1.352535   2.241897   0.000000
    15  H    4.670779   5.619861   6.526349   5.664322   0.000000
    16  H    2.724111   3.826402   4.919250   3.847098   2.459725
    17  H    2.736679   2.858384   2.783764   3.877063   4.932138
    18  H    4.673612   5.007040   5.109340   5.680808   4.273725
    19  H    6.299303   6.988958   7.376066   7.459063   3.601265
    20  H    6.306572   7.106577   7.747330   7.326551   2.392682
    21  H    6.406864   6.579358   6.870850   6.762681   4.301158
    22  H    8.362508   8.790721   9.098369   9.072165   5.340894
    23  H    8.481462   8.998349   9.514199   9.075844   4.684817
    24  H    8.726967   8.958041   9.318682   8.990316   5.623268
    25  H    6.985593   7.397032   8.112188   7.166906   3.210760
    26  H    5.628941   5.818977   6.474489   5.568590   3.048320
    27  H    7.322453   7.393720   7.922020   7.114689   4.503298
    28  H    1.090694   2.112480   3.203141   2.429341   4.618489
    29  C    1.529825   2.509656   2.870010   3.653307   5.601439
    30  H    3.207257   1.880611   2.283662   0.970226   6.438479
    31  H    2.169128   2.760049   2.700206   4.071642   5.985111
    32  H    2.173697   2.771003   3.016445   3.811692   6.526080
    33  H    2.156676   3.451757   3.926432   4.473843   5.302793
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.276368   0.000000
    18  H    4.929656   2.454633   0.000000
    19  H    5.402389   4.787075   2.592965   0.000000
    20  H    4.687530   5.499828   3.743790   1.754888   0.000000
    21  H    5.803730   4.709366   2.650273   2.483790   3.042574
    22  H    7.394416   6.632482   4.229316   2.454996   3.116207
    23  H    6.990411   7.261422   5.084562   3.029514   2.585864
    24  H    7.640901   7.186116   4.992914   3.685855   3.771723
    25  H    5.232047   6.433514   4.933854   3.774794   2.592376
    26  H    4.375375   5.026946   3.927746   3.802326   3.129819
    27  H    6.119365   6.370694   4.842097   4.302715   3.774921
    28  H    2.305148   3.771622   5.494640   6.829430   6.566932
    29  C    3.774050   3.052301   5.138319   6.812385   7.044184
    30  H    4.771084   4.260088   6.065971   7.996323   7.954745
    31  H    4.483093   2.496731   4.681718   6.597671   7.098144
    32  H    4.483052   3.953849   6.169813   7.899865   8.091160
    33  H    3.593849   3.571464   5.283178   6.600450   6.753754
                   21         22         23         24         25
    21  H    0.000000
    22  H    2.488558   0.000000
    23  H    3.058096   1.765746   0.000000
    24  H    2.492243   1.766627   1.764216   0.000000
    25  H    3.055516   3.797345   2.613355   3.126604   0.000000
    26  H    2.486016   4.327192   3.798872   3.761411   1.765342
    27  H    2.486548   3.757016   3.123016   2.544851   1.765000
    28  H    6.971468   8.888172   8.802795   9.163925   7.093359
    29  C    7.284177   9.037457   9.327446   9.643771   8.130815
    30  H    7.050134   9.448537   9.523880   9.267921   7.625865
    31  H    7.037923   8.765775   9.258809   9.456275   8.289378
    32  H    8.291490  10.108169  10.376588  10.666827   9.073740
    33  H    7.425838   8.945971   9.170393   9.676711   8.091600
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.765875   0.000000
    28  H    5.836897   7.583269   0.000000
    29  C    6.867505   8.523358   2.158874   0.000000
    30  H    5.951336   7.360877   3.370116   4.348470   0.000000
    31  H    6.982051   8.534812   3.065650   1.088629   4.612665
    32  H    7.765344   9.438922   2.494116   1.090855   4.422044
    33  H    7.019947   8.688782   2.503343   1.089933   5.261378
                   31         32         33
    31  H    0.000000
    32  H    1.762724   0.000000
    33  H    1.769763   1.772944   0.000000
 Stoichiometry    C13H18O2
 Framework group  C1[X(C13H18O2)]
 Deg. of freedom    93
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.90D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.859135   -0.797445    1.307905
      2          6           0        1.475419   -0.773087    0.059735
      3          6           0       -0.519198   -0.667837    1.430715
      4          6           0       -1.322882   -0.517669    0.305982
      5          6           0       -0.712213   -0.493664   -0.948233
      6          6           0        0.663373   -0.619230   -1.065423
      7          6           0        2.970409   -0.867475   -0.082211
      8          6           0        3.653427    0.477889   -0.397780
      9          6           0        5.142776    0.265827   -0.664323
     10          6           0        3.434072    1.499169    0.716682
     11          6           0       -2.832871   -0.408434    0.441812
     12          6           0       -3.288620    0.891062   -0.193882
     13          8           0       -3.674162    1.023041   -1.326622
     14          8           0       -3.185052    1.931949    0.663544
     15          1           0        1.465467   -0.914551    2.198032
     16          1           0       -0.973985   -0.684881    2.413842
     17          1           0       -1.317893   -0.368693   -1.836932
     18          1           0        1.116639   -0.598906   -2.049722
     19          1           0        3.214767   -1.574910   -0.879790
     20          1           0        3.401771   -1.271409    0.838508
     21          1           0        3.194988    0.870891   -1.312084
     22          1           0        5.304831   -0.437524   -1.483935
     23          1           0        5.641346   -0.134788    0.222807
     24          1           0        5.634047    1.205490   -0.924389
     25          1           0        3.868992    1.144050    1.655622
     26          1           0        2.373464    1.684234    0.888790
     27          1           0        3.908029    2.451247    0.470321
     28          1           0       -3.064982   -0.343640    1.505550
     29          6           0       -3.561082   -1.603695   -0.175784
     30          1           0       -3.441613    2.729075    0.173539
     31          1           0       -3.372170   -1.659027   -1.246468
     32          1           0       -4.638896   -1.523016   -0.028230
     33          1           0       -3.211554   -2.526025    0.287996
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.3245287           0.2608361           0.2514997
 Leave Link  202 at Wed Sep  8 12:29:38 2021, MaxMem=  6442450944 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      15     16     17     18     19     20     21     22     23     24
 Centers:      25     26     27     28     30     31     32     33
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8      9     10
 Centers:      11     12     29
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     14
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   480 symmetry adapted cartesian basis functions of A   symmetry.
 There are   450 symmetry adapted basis functions of A   symmetry.
   450 basis functions,   666 primitive gaussians,   480 cartesian basis functions
    56 alpha electrons       56 beta electrons
       nuclear repulsion energy       972.9962246704 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   33 NActive=   33 NUniq=   33 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Wed Sep  8 12:29:39 2021, MaxMem=  6442450944 cpu:               6.9 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   450 RedAO= T EigKep=  4.08D-06  NBF=   450
 NBsUse=   450 1.00D-06 EigRej= -1.00D+00 NBFU=   450
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   478   478   478   478   478 MxSgAt=    33 MxSgA2=    33.
 Leave Link  302 at Wed Sep  8 12:29:40 2021, MaxMem=  6442450944 cpu:               7.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Wed Sep  8 12:29:41 2021, MaxMem=  6442450944 cpu:               0.9 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "30_ibuprofen_conformer03_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Wed Sep  8 12:29:42 2021, MaxMem=  6442450944 cpu:               7.6 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  6442450944 LenX=  6441981585 LenY=  6441750705
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -655.824593479842    
 DIIS: error= 5.04D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -655.824593479842     IErMin= 1 ErrMin= 5.04D-03
 ErrMax= 5.04D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.46D-02 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.50D-01 WtEn= 5.04D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.391 Goal=   None    Shift=    0.000
 GapD=    0.391 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.29D-02 MaxDP=7.86D-01              OVMax= 1.95D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.11D-02    CP:  1.19D+00
 E= -655.850208343280     Delta-E=       -0.025614863439 Rises=F Damp=F
 DIIS: error= 1.01D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -655.850208343280     IErMin= 2 ErrMin= 1.01D-03
 ErrMax= 1.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-03 BMatP= 2.46D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 1.01D-02
 Coeff-Com: -0.295D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.292D-01 0.103D+01
 Gap=     0.372 Goal=   None    Shift=    0.000
 RMSDP=2.83D-03 MaxDP=1.71D-01 DE=-2.56D-02 OVMax= 9.91D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.06D-03    CP:  1.25D+00  1.14D+00
 E= -655.851129298236     Delta-E=       -0.000920954955 Rises=F Damp=F
 DIIS: error= 7.90D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -655.851129298236     IErMin= 3 ErrMin= 7.90D-04
 ErrMax= 7.90D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.65D-04 BMatP= 1.06D-03
 IDIUse=3 WtCom= 9.92D-01 WtEn= 7.90D-03
 Coeff-Com: -0.612D-01 0.484D+00 0.577D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.607D-01 0.480D+00 0.581D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.67D-04 MaxDP=1.91D-02 DE=-9.21D-04 OVMax= 4.47D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.35D-04    CP:  1.25D+00  1.15D+00  1.05D+00
 E= -655.851630063904     Delta-E=       -0.000500765668 Rises=F Damp=F
 DIIS: error= 1.64D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -655.851630063904     IErMin= 4 ErrMin= 1.64D-04
 ErrMax= 1.64D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.61D-05 BMatP= 7.65D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.64D-03
 Coeff-Com: -0.141D-01 0.418D-01 0.152D+00 0.821D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.141D-01 0.417D-01 0.152D+00 0.821D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.86D-05 MaxDP=2.97D-03 DE=-5.01D-04 OVMax= 1.17D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  6.84D-05    CP:  1.25D+00  1.15D+00  1.06D+00  1.16D+00
 E= -655.851652358752     Delta-E=       -0.000022294848 Rises=F Damp=F
 DIIS: error= 8.43D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -655.851652358752     IErMin= 5 ErrMin= 8.43D-05
 ErrMax= 8.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.50D-06 BMatP= 2.61D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.101D-02-0.367D-01-0.784D-02 0.360D+00 0.683D+00
 Coeff:      0.101D-02-0.367D-01-0.784D-02 0.360D+00 0.683D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.84D-05 MaxDP=1.29D-03 DE=-2.23D-05 OVMax= 7.53D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.25D-05    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.05D+00
 E= -655.851657682503     Delta-E=       -0.000005323751 Rises=F Damp=F
 DIIS: error= 2.71D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -655.851657682503     IErMin= 6 ErrMin= 2.71D-05
 ErrMax= 2.71D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.31D-07 BMatP= 6.50D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.195D-02-0.218D-01-0.207D-01 0.866D-01 0.325D+00 0.629D+00
 Coeff:      0.195D-02-0.218D-01-0.207D-01 0.866D-01 0.325D+00 0.629D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=7.96D-06 MaxDP=3.33D-04 DE=-5.32D-06 OVMax= 1.98D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.23D-06    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.08D+00
                    CP:  1.11D+00
 E= -655.851658337086     Delta-E=       -0.000000654583 Rises=F Damp=F
 DIIS: error= 4.46D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -655.851658337086     IErMin= 7 ErrMin= 4.46D-06
 ErrMax= 4.46D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.14D-08 BMatP= 8.31D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.357D-03-0.146D-02-0.435D-02-0.185D-01 0.837D-02 0.148D+00
 Coeff-Com:  0.867D+00
 Coeff:      0.357D-03-0.146D-02-0.435D-02-0.185D-01 0.837D-02 0.148D+00
 Coeff:      0.867D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.16D-06 MaxDP=2.49D-04 DE=-6.55D-07 OVMax= 6.98D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  3.24D-06    CP:  1.25D+00  1.15D+00  1.07D+00  1.21D+00  1.10D+00
                    CP:  1.16D+00  1.18D+00
 E= -655.851658383493     Delta-E=       -0.000000046407 Rises=F Damp=F
 DIIS: error= 1.11D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -655.851658383493     IErMin= 8 ErrMin= 1.11D-06
 ErrMax= 1.11D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.80D-09 BMatP= 3.14D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.811D-04 0.148D-02 0.855D-03-0.109D-01-0.238D-01-0.342D-01
 Coeff-Com:  0.157D+00 0.910D+00
 Coeff:     -0.811D-04 0.148D-02 0.855D-03-0.109D-01-0.238D-01-0.342D-01
 Coeff:      0.157D+00 0.910D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.22D-06 MaxDP=5.94D-05 DE=-4.64D-08 OVMax= 2.57D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  8.68D-07    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.21D+00  1.06D+00
 E= -655.851658387897     Delta-E=       -0.000000004404 Rises=F Damp=F
 DIIS: error= 5.69D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -655.851658387897     IErMin= 9 ErrMin= 5.69D-07
 ErrMax= 5.69D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.18D-10 BMatP= 2.80D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.675D-04 0.778D-03 0.779D-03-0.312D-02-0.103D-01-0.296D-01
 Coeff-Com: -0.126D-01 0.376D+00 0.678D+00
 Coeff:     -0.675D-04 0.778D-03 0.779D-03-0.312D-02-0.103D-01-0.296D-01
 Coeff:     -0.126D-01 0.376D+00 0.678D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.76D-07 MaxDP=2.24D-05 DE=-4.40D-09 OVMax= 9.04D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.16D-07    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.23D+00  1.11D+00  9.91D-01
 E= -655.851658388765     Delta-E=       -0.000000000868 Rises=F Damp=F
 DIIS: error= 1.28D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -655.851658388765     IErMin=10 ErrMin= 1.28D-07
 ErrMax= 1.28D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.75D-11 BMatP= 6.18D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.880D-05 0.298D-04 0.107D-03 0.451D-03 0.584D-03-0.438D-02
 Coeff-Com: -0.218D-01-0.158D-01 0.177D+00 0.864D+00
 Coeff:     -0.880D-05 0.298D-04 0.107D-03 0.451D-03 0.584D-03-0.438D-02
 Coeff:     -0.218D-01-0.158D-01 0.177D+00 0.864D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=2.25D-07 MaxDP=1.06D-05 DE=-8.68D-10 OVMax= 3.99D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.08D-07    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.23D+00  1.13D+00  1.03D+00  1.03D+00
 E= -655.851658388760     Delta-E=        0.000000000005 Rises=F Damp=F
 DIIS: error= 5.76D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -655.851658388765     IErMin=11 ErrMin= 5.76D-08
 ErrMax= 5.76D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.49D-12 BMatP= 4.75D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.485D-05-0.791D-04-0.550D-04 0.464D-03 0.146D-02 0.171D-02
 Coeff-Com: -0.419D-02-0.474D-01-0.273D-01 0.255D+00 0.820D+00
 Coeff:      0.485D-05-0.791D-04-0.550D-04 0.464D-03 0.146D-02 0.171D-02
 Coeff:     -0.419D-02-0.474D-01-0.273D-01 0.255D+00 0.820D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=4.66D-08 MaxDP=1.70D-06 DE= 5.00D-12 OVMax= 1.25D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.62D-08    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.23D+00  1.13D+00  1.04D+00  1.09D+00
                    CP:  1.01D+00
 E= -655.851658388787     Delta-E=       -0.000000000027 Rises=F Damp=F
 DIIS: error= 1.85D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -655.851658388787     IErMin=12 ErrMin= 1.85D-08
 ErrMax= 1.85D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.22D-13 BMatP= 6.49D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.204D-05-0.203D-04-0.234D-04 0.386D-04 0.290D-03 0.777D-03
 Coeff-Com:  0.211D-02-0.869D-02-0.293D-01-0.518D-01 0.180D+00 0.907D+00
 Coeff:      0.204D-05-0.203D-04-0.234D-04 0.386D-04 0.290D-03 0.777D-03
 Coeff:      0.211D-02-0.869D-02-0.293D-01-0.518D-01 0.180D+00 0.907D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.89D-08 MaxDP=1.29D-06 DE=-2.68D-11 OVMax= 5.57D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.44D-08    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.23D+00  1.13D+00  1.04D+00  1.10D+00
                    CP:  1.07D+00  1.10D+00
 E= -655.851658388737     Delta-E=        0.000000000050 Rises=F Damp=F
 DIIS: error= 8.32D-09 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=12 EnMin= -655.851658388787     IErMin=13 ErrMin= 8.32D-09
 ErrMax= 8.32D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.23D-14 BMatP= 7.22D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.141D-06 0.538D-05 0.215D-05-0.523D-04-0.111D-03-0.741D-04
 Coeff-Com:  0.109D-02 0.413D-02-0.385D-02-0.466D-01-0.667D-01 0.233D+00
 Coeff-Com:  0.879D+00
 Coeff:     -0.141D-06 0.538D-05 0.215D-05-0.523D-04-0.111D-03-0.741D-04
 Coeff:      0.109D-02 0.413D-02-0.385D-02-0.466D-01-0.667D-01 0.233D+00
 Coeff:      0.879D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=1.02D-08 MaxDP=8.03D-07 DE= 4.96D-11 OVMax= 2.05D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.39D-09    CP:  1.25D+00  1.15D+00  1.07D+00  1.20D+00  1.10D+00
                    CP:  1.19D+00  1.23D+00  1.13D+00  1.04D+00  1.10D+00
                    CP:  1.09D+00  1.17D+00  1.11D+00
 E= -655.851658388729     Delta-E=        0.000000000009 Rises=F Damp=F
 DIIS: error= 2.93D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=12 EnMin= -655.851658388787     IErMin=14 ErrMin= 2.93D-09
 ErrMax= 2.93D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.10D-14 BMatP= 9.23D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.268D-06 0.385D-05 0.337D-05-0.214D-04-0.658D-04-0.111D-03
 Coeff-Com:  0.110D-03 0.226D-02 0.194D-02-0.842D-02-0.395D-01-0.272D-01
 Coeff-Com:  0.265D+00 0.806D+00
 Coeff:     -0.268D-06 0.385D-05 0.337D-05-0.214D-04-0.658D-04-0.111D-03
 Coeff:      0.110D-03 0.226D-02 0.194D-02-0.842D-02-0.395D-01-0.272D-01
 Coeff:      0.265D+00 0.806D+00
 Gap=     0.371 Goal=   None    Shift=    0.000
 RMSDP=3.63D-09 MaxDP=2.33D-07 DE= 8.64D-12 OVMax= 7.14D-08

 SCF Done:  E(RM11) =  -655.851658389     A.U. after   14 cycles
            NFock= 14  Conv=0.36D-08     -V/T= 2.0120
 KE= 6.480789220208D+02 PE=-3.467572191735D+03 EE= 1.190645386655D+03
 Leave Link  502 at Wed Sep  8 12:40:28 2021, MaxMem=  6442450944 cpu:            5157.0 elap:             645.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   450
 NBasis=   450 NAE=    56 NBE=    56 NFC=     0 NFV=     0
 NROrb=    450 NOA=    56 NOB=    56 NVA=   394 NVB=   394

 **** Warning!!: The largest alpha MO coefficient is  0.66583322D+02

 Leave Link  801 at Wed Sep  8 12:40:29 2021, MaxMem=  6442450944 cpu:               0.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        10066 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    6442450944 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          33
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.68D-13 8.33D-09 XBig12= 1.00D+00 3.27D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.68D-13 8.33D-09 XBig12= 1.96D-01 7.98D-02.
     11 vectors produced by pass  2 Test12= 3.68D-13 8.33D-09 XBig12= 3.73D-02 6.57D-02.
     11 vectors produced by pass  3 Test12= 3.68D-13 8.33D-09 XBig12= 4.64D-03 1.65D-02.
     11 vectors produced by pass  4 Test12= 3.68D-13 8.33D-09 XBig12= 5.90D-04 4.67D-03.
     11 vectors produced by pass  5 Test12= 3.68D-13 8.33D-09 XBig12= 6.15D-05 9.37D-04.
     11 vectors produced by pass  6 Test12= 3.68D-13 8.33D-09 XBig12= 3.25D-06 2.58D-04.
     11 vectors produced by pass  7 Test12= 3.68D-13 8.33D-09 XBig12= 1.52D-07 4.20D-05.
     11 vectors produced by pass  8 Test12= 3.68D-13 8.33D-09 XBig12= 5.67D-09 1.06D-05.
     11 vectors produced by pass  9 Test12= 3.68D-13 8.33D-09 XBig12= 1.96D-10 1.69D-06.
     11 vectors produced by pass 10 Test12= 3.68D-13 8.33D-09 XBig12= 6.59D-12 3.03D-07.
      8 vectors produced by pass 11 Test12= 3.68D-13 8.33D-09 XBig12= 1.87D-13 4.72D-08.
      2 vectors produced by pass 12 Test12= 3.68D-13 8.33D-09 XBig12= 5.11D-14 1.51D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   131 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.216163D+03
      2 -0.393823D+00  0.132653D+03
      3  0.606732D+00 -0.188072D+00  0.152261D+03
 Isotropic polarizability for W=    0.088559      167.03 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.233954D+03  0.381213D+02 -0.736924D+02
      2  -0.125633D+03 -0.911653D+01  0.329210D+02
      3  -0.108321D+03 -0.290047D+02  0.407714D+02
      4  -0.415371D+02  0.664535D+02  0.991523D+01
      5  -0.460985D+02  0.661402D+01  0.923128D+02
      6   0.674690D+01  0.107043D+02 -0.502967D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.677183D+01 -0.209221D+01  0.232066D+02
      2  -0.427148D+02  0.435496D+01  0.430464D+02
      3  -0.970750D+02 -0.357447D+02 -0.164936D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.330121D+01 -0.222167D+02  0.212920D+02
      2  -0.275940D+02  0.316833D+01  0.200634D+03
      3  -0.796584D+02 -0.192086D+03  0.132884D+00
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1   0.527501D+00  0.497542D+01  0.111713D+02
      2   0.497542D+01 -0.341851D+01 -0.756899D+00
      3   0.111713D+02 -0.756899D+00 -0.117521D+01
 OR G Eigenvalues:   -13.1841    -2.4486    11.5664  Iso=     1.3554
 Eigenvectors:
   (1)   0.662725  -0.387325  -0.640917
   (2)   0.109620   0.896810  -0.428620
   (3)   0.740796   0.213800   0.636797
 w=    0.088559 a.u., Optical Rotation Beta=      1.3554 au.
 Molar Mass =    206.2840 grams/mole, [Alpha] ( 5145.0 A) =      333.18 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  101475 ScalPx= 8.66D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.47D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D+00 2.95D-01.
     30 vectors produced by pass  1 Test12= 6.13D-14 2.78D-09 XBig12= 6.31D-02 5.70D-02.
     30 vectors produced by pass  2 Test12= 6.13D-14 2.78D-09 XBig12= 3.60D-03 1.19D-02.
     30 vectors produced by pass  3 Test12= 6.13D-14 2.78D-09 XBig12= 7.93D-05 1.15D-03.
     30 vectors produced by pass  4 Test12= 6.13D-14 2.78D-09 XBig12= 2.36D-06 1.78D-04.
     30 vectors produced by pass  5 Test12= 6.13D-14 2.78D-09 XBig12= 4.80D-08 2.76D-05.
     30 vectors produced by pass  6 Test12= 6.13D-14 2.78D-09 XBig12= 7.34D-10 3.18D-06.
     30 vectors produced by pass  7 Test12= 6.13D-14 2.78D-09 XBig12= 9.50D-12 2.84D-07.
     30 vectors produced by pass  8 Test12= 6.13D-14 2.78D-09 XBig12= 1.14D-13 2.57D-08.
      4 vectors produced by pass  9 Test12= 6.13D-14 2.78D-09 XBig12= 4.60D-15 3.70D-09.
      3 vectors produced by pass 10 Test12= 6.13D-14 2.78D-09 XBig12= 1.00D-14 8.74D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-15
 Solved reduced A of dimension   277 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.86D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  101475 ScalPx= 1.86D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  101475 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.74D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216163D+03 -0.393823D+00  0.606732D+00
      2  -0.393823D+00  0.132653D+03 -0.188072D+00
      3   0.606732D+00 -0.188072D+00  0.152261D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677183D+01 -0.209221D+01  0.232066D+02
      2  -0.427148D+02  0.435496D+01  0.430464D+02
      3  -0.970750D+02 -0.357447D+02 -0.164936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.233954D+03  0.381213D+02 -0.736924D+02
      2  -0.125633D+03 -0.911653D+01  0.329210D+02
      3  -0.108321D+03 -0.290047D+02  0.407714D+02
      4  -0.415371D+02  0.664535D+02  0.991523D+01
      5  -0.460985D+02  0.661402D+01  0.923128D+02
      6   0.674690D+01  0.107043D+02 -0.502967D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.997514D+01  0.550056D+00  0.737222D-01  0.160123D+01  0.211032D+01
      2   0.550056D+00  0.133372D+01 -0.919141D-01  0.211032D+01 -0.158543D+01
      3   0.737222D-01 -0.919141D-01  0.285098D+01  0.727628D+00  0.318765D+01
                 6             7             8             9            10 
      1   0.727628D+00  0.125035D+02  0.623774D+00 -0.129057D+01  0.286416D+02
      2   0.318765D+01  0.623774D+00  0.135928D+01  0.434259D+00  0.119509D+01
      3  -0.288287D+00 -0.129057D+01  0.434259D+00  0.354359D-01 -0.149097D+01
                11            12            13            14            15 
      1   0.119509D+01 -0.149097D+01 -0.149140D+01  0.470194D+01  0.527471D+00
      2   0.168298D+01 -0.211245D+00  0.470194D+01 -0.864518D+00 -0.246060D+00
      3  -0.211245D+00  0.302465D+01  0.527471D+00 -0.246060D+00 -0.616339D+00
                16            17            18            19            20 
      1  -0.302151D+01  0.325395D+00  0.652599D+00  0.119624D+02 -0.418770D+00
      2   0.325395D+00 -0.358293D+00 -0.769057D+00 -0.418770D+00 -0.135361D+01
      3   0.652599D+00 -0.769057D+00  0.837799D+00 -0.279848D+00  0.106833D+01
                21            22            23            24            25 
      1  -0.279848D+00 -0.921552D+00 -0.175278D+01  0.563418D+00  0.109917D+02
      2   0.106833D+01 -0.175278D+01 -0.359396D+00  0.324539D+01 -0.739479D+00
      3  -0.237083D+01  0.563418D+00  0.324539D+01  0.566448D+00  0.107307D+01
                26            27            28            29            30 
      1  -0.739479D+00  0.107307D+01 -0.253870D+02 -0.476122D+00  0.486492D+00
      2   0.203396D+01  0.274334D+00 -0.476122D+00 -0.149074D+01 -0.121034D+00
      3   0.274334D+00  0.479450D+00  0.486492D+00 -0.121034D+00 -0.250607D+01
                31            32            33            34            35 
      1   0.297335D+01 -0.503544D+01 -0.681302D-01  0.132418D+01 -0.101347D+00
      2  -0.503544D+01  0.576406D+00 -0.140474D+00 -0.101347D+00 -0.588923D+00
      3  -0.681302D-01 -0.140474D+00  0.122874D+00 -0.472480D+00 -0.459652D+00
                36            37            38            39            40 
      1  -0.472480D+00  0.815214D+01 -0.284555D+00 -0.321499D+00 -0.349759D-01
      2  -0.459652D+00 -0.284555D+00 -0.119099D+01 -0.798268D+00 -0.166363D+01
      3   0.108446D+01 -0.321499D+00 -0.798268D+00 -0.200318D+01 -0.534763D+00
                41            42            43            44            45 
      1  -0.166363D+01 -0.534763D+00 -0.122270D+02  0.416651D+00  0.321442D+00
      2   0.660951D+00 -0.273881D+01  0.416651D+00 -0.153641D+01 -0.259401D-01
      3  -0.273881D+01 -0.660928D-01  0.321442D+00 -0.259401D-01 -0.109301D+01
                46            47            48            49            50 
      1  -0.990853D+01  0.219412D-01  0.620751D+00  0.194532D+01  0.133265D+01
      2   0.219412D-01  0.103857D+01  0.107283D+00  0.133265D+01 -0.486214D+00
      3   0.620751D+00  0.107283D+00  0.100637D+01 -0.624686D+00 -0.313076D+01
                51            52            53            54            55 
      1  -0.624686D+00 -0.102505D+02 -0.299362D+00 -0.351585D+00 -0.133361D+02
      2  -0.313076D+01 -0.299362D+00 -0.167637D+01  0.164562D-02 -0.219297D+01
      3  -0.773518D+00 -0.351585D+00  0.164562D-02 -0.730727D+00  0.533720D+00
                56            57            58            59            60 
      1  -0.219297D+01  0.533720D+00 -0.724069D+01 -0.709988D+01  0.513129D+00
      2  -0.296079D+01  0.390161D+00 -0.709988D+01 -0.672596D-01  0.159650D+01
      3   0.390161D+00 -0.195632D+01  0.513129D+00  0.159650D+01  0.298025D+01
                61            62            63            64            65 
      1   0.418483D+01  0.602505D+00 -0.383801D+01 -0.864941D+00  0.252433D+01
      2   0.602505D+00  0.201330D+01  0.379552D+01  0.252433D+01  0.339952D+01
      3  -0.383801D+01  0.379552D+01 -0.891390D+00  0.255827D+01 -0.924445D+00
                66            67            68            69            70 
      1   0.255827D+01  0.113186D+02  0.641444D+01 -0.194897D+01  0.719787D+00
      2  -0.924445D+00  0.641444D+01  0.131216D+01 -0.181186D+01 -0.124158D+01
      3   0.231513D+01 -0.194897D+01 -0.181186D+01 -0.333657D+01  0.345589D+01
                71            72            73            74            75 
      1  -0.124158D+01  0.345589D+01  0.450057D+01 -0.154672D+01 -0.226874D+01
      2  -0.219714D+01 -0.364141D+01 -0.154672D+01 -0.333239D+01  0.113737D+01
      3  -0.364141D+01  0.298666D+01 -0.226874D+01  0.113737D+01 -0.238510D+01
                76            77            78            79            80 
      1  -0.359733D+01 -0.535749D+01  0.157032D+01 -0.219034D+01  0.128970D+01
      2  -0.535749D+01 -0.211424D+01  0.302207D+01  0.128970D+01  0.273568D+01
      3   0.157032D+01  0.302207D+01  0.343436D+01 -0.363285D+01  0.364517D+01
                81            82            83            84            85 
      1  -0.363285D+01  0.567825D+01 -0.246159D+01 -0.182282D+01 -0.382392D+01
      2   0.364517D+01 -0.246159D+01 -0.319941D+01  0.758323D+00 -0.400829D+01
      3  -0.210411D-01 -0.182282D+01  0.758323D+00 -0.199643D+01  0.141773D+01
                86            87            88            89            90 
      1  -0.400829D+01  0.141773D+01 -0.167932D+01  0.119959D+01 -0.249307D+01
      2  -0.388259D+01  0.195183D+01  0.119959D+01  0.310563D+01  0.261413D+01
      3   0.195183D+01  0.282601D+01 -0.249307D+01  0.261413D+01 -0.298532D+01
                91            92            93            94            95 
      1   0.306096D+01  0.263915D+01 -0.312263D+00  0.929137D+00  0.613751D+01
      2   0.263915D+01  0.218290D+01  0.709749D+00  0.613751D+01 -0.175682D+01
      3  -0.312263D+00  0.709749D+00  0.107466D+01  0.572277D+00  0.143355D+01
                96            97            98            99           100 
      1   0.572277D+00  0.335211D+01  0.499905D+00  0.165063D+01  0.221400D+01
      2   0.143355D+01  0.499905D+00  0.316710D+01 -0.329841D+00 -0.795204D+00
      3  -0.315908D+00  0.165063D+01 -0.329841D+00 -0.478597D+01  0.182358D+01
               101           102           103           104           105 
      1  -0.795204D+00  0.182358D+01 -0.753540D+00 -0.140511D+01 -0.572644D+00
      2  -0.272837D+00 -0.523666D+00 -0.140511D+01  0.265007D+01 -0.142569D+01
      3  -0.523666D+00  0.775155D+00 -0.572644D+00 -0.142569D+01 -0.180397D+00
               106           107           108           109           110 
      1   0.274132D+01 -0.137999D+01  0.186462D+01 -0.457946D+01  0.812474D+00
      2  -0.137999D+01 -0.172092D+00 -0.100579D+01  0.812474D+00 -0.102914D+01
      3   0.186462D+01 -0.100579D+01  0.442546D+01 -0.372363D+01  0.382657D+00
               111           112           113           114           115 
      1  -0.372363D+01  0.657076D+00 -0.129268D+01  0.703496D+00 -0.753263D+01
      2   0.382657D+00 -0.129268D+01  0.392963D+00 -0.178427D+01  0.213745D+01
      3  -0.213111D+01  0.703496D+00 -0.178427D+01  0.935542D+00 -0.407050D+01
               116           117           118           119           120 
      1   0.213745D+01 -0.407050D+01  0.633529D+00  0.357344D+00  0.122203D+01
      2  -0.358790D+01  0.131551D+01  0.357344D+00  0.192078D+01 -0.220845D+00
      3   0.131551D+01 -0.905957D+01  0.122203D+01 -0.220845D+00  0.163791D+00
               121           122           123           124           125 
      1   0.752810D+00  0.133268D+01 -0.526596D+00  0.297167D+01 -0.182547D+01
      2   0.133268D+01 -0.261389D+01  0.274047D+01 -0.182547D+01  0.525266D+01
      3  -0.526596D+00  0.274047D+01  0.219014D+00 -0.344249D+00  0.166666D+01
               126           127           128           129           130 
      1  -0.344249D+00  0.345305D+01 -0.404398D+00  0.268327D+01 -0.109532D+01
      2   0.166666D+01 -0.404398D+00  0.508169D+00 -0.502999D+00  0.175675D+00
      3   0.305875D+01  0.268327D+01 -0.502999D+00  0.281569D+01 -0.575147D+00
               131           132           133           134           135 
      1   0.175675D+00 -0.575147D+00  0.287746D+01 -0.421897D+00  0.336357D+01
      2  -0.250017D+00  0.321917D+00 -0.421897D+00  0.101982D+01 -0.101659D+01
      3   0.321917D+00 -0.771796D+00  0.336357D+01 -0.101659D+01  0.670328D+01
               136           137           138           139           140 
      1  -0.231033D+01 -0.826005D-01  0.228089D+01  0.174398D+00 -0.102078D-01
      2  -0.826005D-01 -0.238416D+00  0.694134D-01 -0.102078D-01 -0.970560D-01
      3   0.228089D+01  0.694134D-01 -0.242305D+01 -0.681900D-01  0.253910D+00
               141           142           143           144           145 
      1  -0.681900D-01  0.221017D+01  0.242000D+00 -0.301804D+01 -0.358234D+01
      2   0.253910D+00  0.242000D+00  0.905657D+00 -0.532121D+00  0.506091D+00
      3  -0.268122D+00 -0.301804D+01 -0.532121D+00  0.851500D+01 -0.213799D+01
               146           147           148           149           150 
      1   0.506091D+00 -0.213799D+01  0.876892D+00 -0.173333D+00  0.483162D+00
      2  -0.546495D+00  0.213600D+00 -0.173333D+00  0.182099D+00 -0.223295D+00
      3   0.213600D+00 -0.199029D+01  0.483162D+00 -0.223295D+00  0.585522D+00
               151           152           153           154           155 
      1  -0.278709D+01  0.208509D+00 -0.288634D+01  0.220654D+01  0.420945D-01
      2   0.208509D+00 -0.839758D+00  0.435684D+00  0.420945D-01  0.248835D+00
      3  -0.288634D+01  0.435684D+00 -0.560242D+01 -0.216309D+01  0.154649D+00
               156           157           158           159           160 
      1  -0.216309D+01 -0.195135D+00  0.582920D-03  0.100789D+00 -0.244625D+01
      2   0.154649D+00  0.582920D-03 -0.366192D-01 -0.271808D+00 -0.100878D+00
      3   0.211617D+01  0.100789D+00 -0.271808D+00  0.139505D+00  0.296930D+01
               161           162           163           164           165 
      1  -0.100878D+00  0.296930D+01  0.253432D+01 -0.115829D+01 -0.142933D+01
      2  -0.845591D+00 -0.151062D+00 -0.115829D+01  0.135363D+01  0.513043D+00
      3  -0.151062D+00 -0.786278D+01 -0.142933D+01  0.513043D+00  0.765707D+00
               166           167           168           169           170 
      1  -0.147857D+01  0.245449D+01  0.904593D+00 -0.547679D+01  0.863957D+00
      2   0.245449D+01 -0.428183D+01 -0.239319D+01  0.863957D+00 -0.310442D+01
      3   0.904593D+00 -0.239319D+01 -0.186989D+01  0.232524D+01 -0.259180D+01
               171           172           173           174           175 
      1   0.232524D+01  0.243603D+01 -0.885233D+00  0.175640D+01 -0.220042D+00
      2  -0.259180D+01 -0.885233D+00  0.141286D+01 -0.662508D+00  0.166263D+01
      3  -0.299689D+01  0.175640D+01 -0.662508D+00  0.122643D+01 -0.603422D+00
               176           177           178           179           180 
      1   0.166263D+01 -0.603422D+00  0.425609D+01 -0.776660D+00  0.191404D+01
      2  -0.193865D+01  0.116112D+01 -0.776660D+00  0.193483D+01 -0.206440D+01
      3   0.116112D+01 -0.122199D+01  0.191404D+01 -0.206440D+01  0.350431D+01
               181           182           183           184           185 
      1  -0.156426D+01  0.326627D-01 -0.175331D+01 -0.289259D+00 -0.956220D+00
      2   0.326627D-01 -0.111325D+01  0.428947D+00 -0.956220D+00  0.147631D+01
      3  -0.175331D+01  0.428947D+00 -0.132738D+01  0.318285D+00 -0.116904D+01
               186           187           188           189           190 
      1   0.318285D+00 -0.270215D+01  0.185582D+00 -0.109462D+01  0.865947D+00
      2  -0.116904D+01  0.185582D+00 -0.131116D+01  0.181582D+01 -0.104811D+01
      3   0.198477D+01 -0.109462D+01  0.181582D+01 -0.531895D+01 -0.116492D+01
               191           192           193           194           195 
      1  -0.104811D+01 -0.116492D+01 -0.219006D+01  0.188663D+01  0.123040D+01
      2   0.783412D+00  0.447373D+00  0.188663D+01 -0.298426D+01 -0.252677D+01
      3   0.447373D+00  0.112596D+01  0.123040D+01 -0.252677D+01 -0.282839D+01
               196           197           198           199           200 
      1  -0.252492D+01  0.953844D+00  0.260551D+01  0.373544D+01 -0.851991D+00
      2   0.953844D+00 -0.249336D+01 -0.264138D+01 -0.851991D+00  0.110077D+01
      3   0.260551D+01 -0.264138D+01 -0.477903D+01  0.197258D+01 -0.583833D+00
               201           202           203           204           205 
      1   0.197258D+01 -0.162823D+01  0.177480D+01 -0.802742D+00  0.461587D+01
      2  -0.583833D+00  0.177480D+01 -0.115791D+01  0.709463D+00 -0.100459D+01
      3   0.164837D+01 -0.802742D+00  0.709463D+00 -0.141345D+01  0.264883D+01
               206           207           208           209           210 
      1  -0.100459D+01  0.264883D+01  0.431409D+01  0.283535D+01 -0.992961D+00
      2   0.122058D+01 -0.138605D+01  0.283535D+01  0.231724D+01 -0.774943D+00
      3  -0.138605D+01  0.366538D+01 -0.992961D+00 -0.774943D+00  0.939297D+00
               211           212           213           214           215 
      1   0.578326D+01  0.424695D+01 -0.158921D+01 -0.128010D+01 -0.100629D+01
      2   0.424695D+01  0.546422D+01 -0.159873D+01 -0.100629D+01 -0.137735D+01
      3  -0.158921D+01 -0.159873D+01  0.118577D+01  0.178151D+01  0.839893D+00
               216           217           218           219           220 
      1   0.178151D+01  0.135724D+01  0.174655D+00  0.184693D+01 -0.574516D+00
      2   0.839893D+00  0.174655D+00  0.100533D+01  0.302526D-02  0.686879D+00
      3  -0.119830D+01  0.184693D+01  0.302526D-02  0.220016D+01 -0.543405D+00
               221           222           223           224           225 
      1   0.686879D+00 -0.543405D+00  0.231470D+01  0.390133D-01  0.222561D+01
      2  -0.303764D+00  0.664812D+00  0.390133D-01  0.107581D+01 -0.177747D+00
      3   0.664812D+00 -0.162454D+01  0.222561D+01 -0.177747D+00  0.628516D+01
               226           227           228           229           230 
      1  -0.866764D+01  0.524987D+00  0.109459D+01 -0.161891D-01 -0.140531D+01
      2   0.524987D+00 -0.192400D+01 -0.767640D+00 -0.140531D+01  0.115664D+01
      3   0.109459D+01 -0.767640D+00 -0.101356D+01 -0.569502D+00  0.937898D-01
               231           232           233           234           235 
      1  -0.569502D+00  0.101134D+01 -0.464258D+00 -0.650666D+00  0.224691D+01
      2   0.937898D-01 -0.464258D+00 -0.887053D-01  0.172843D+00  0.278696D+01
      3   0.670245D-01 -0.650666D+00  0.172843D+00  0.948081D+00  0.105663D+00
               236           237           238           239           240 
      1   0.278696D+01  0.105663D+00  0.287622D+01  0.383621D+01 -0.142524D+00
      2   0.311746D+01  0.559065D-01  0.383621D+01  0.869569D+01 -0.172185D+00
      3   0.559065D-01  0.751088D+00 -0.142524D+00 -0.172185D+00  0.759799D+00
               241           242           243           244           245 
      1  -0.798782D+00 -0.709166D+00  0.877349D+00  0.210790D+00 -0.406020D+00
      2  -0.709166D+00 -0.166220D+01  0.799769D+00 -0.406020D+00 -0.538785D+00
      3   0.877349D+00  0.799769D+00 -0.251199D+00  0.173516D+01 -0.121161D+00
               246           247           248           249           250 
      1   0.173516D+01 -0.450835D+00 -0.103406D+01 -0.816962D-01  0.283841D+01
      2  -0.121161D+00 -0.103406D+01  0.289756D+00  0.834224D+00 -0.674352D-01
      3  -0.124563D+01 -0.816962D-01  0.834224D+00  0.353231D-01 -0.206196D+01
               251           252           253           254           255 
      1  -0.674352D-01 -0.206196D+01  0.847318D+01 -0.756681D+00 -0.131472D+01
      2   0.117572D+01  0.118222D+00 -0.756681D+00 -0.351738D+01 -0.308084D-01
      3   0.118222D+00  0.639950D+01 -0.131472D+01 -0.308084D-01 -0.997095D+00
               256           257           258           259           260 
      1  -0.573109D+01 -0.427829D+01 -0.581814D+00 -0.421608D+01 -0.830636D+00
      2  -0.427829D+01  0.158828D+01 -0.255325D+01 -0.830636D+00 -0.351683D+01
      3  -0.581814D+00 -0.255325D+01  0.547623D+00 -0.130407D+01  0.112316D+01
               261           262           263           264           265 
      1  -0.130407D+01 -0.101867D+01  0.145972D+01  0.511078D-01  0.157446D+01
      2   0.112316D+01  0.145972D+01 -0.195088D+01  0.600383D-01 -0.253296D+01
      3   0.393860D+01  0.511078D-01  0.600383D-01 -0.288544D+00  0.165599D+00
               266           267           268           269           270 
      1  -0.253296D+01  0.165599D+00 -0.691279D+00  0.119684D+01 -0.417930D+00
      2   0.835643D+01 -0.345280D+00  0.119684D+01 -0.339256D+01  0.105453D+01
      3  -0.345280D+00  0.116459D+01 -0.417930D+00  0.105453D+01 -0.336385D+00
               271           272           273           274           275 
      1  -0.386423D+00  0.793354D-01 -0.706063D+00  0.579362D+00  0.342681D+00
      2   0.793354D-01  0.675590D+00  0.156252D+00  0.342681D+00 -0.443375D+00
      3  -0.706063D+00  0.156252D+00  0.330126D+00 -0.578441D-01 -0.733023D+00
               276           277           278           279           280 
      1  -0.578441D-01 -0.200358D+01 -0.524232D+00 -0.525903D+00 -0.150449D+02
      2  -0.733023D+00 -0.524232D+00 -0.172045D+01 -0.142243D+01 -0.193352D+01
      3  -0.750446D+00 -0.525903D+00 -0.142243D+01 -0.582136D+01  0.475599D+00
               281           282           283           284           285 
      1  -0.193352D+01  0.475599D+00  0.750786D+00 -0.108826D+01  0.704913D-01
      2  -0.146526D+01 -0.589552D-01 -0.108826D+01 -0.185135D+00  0.327691D+00
      3  -0.589552D-01 -0.960723D+00  0.704913D-01  0.327691D+00  0.787900D-01
               286           287           288           289           290 
      1   0.158658D+01  0.350160D+00 -0.134765D+01 -0.511875D-01 -0.839470D+00
      2   0.350160D+00  0.621789D+00 -0.276466D+00 -0.839470D+00  0.204260D+01
      3  -0.134765D+01 -0.276466D+00 -0.258760D-01  0.561396D+00 -0.261850D+00
               291           292           293           294           295 
      1   0.561396D+00 -0.106029D+01 -0.311783D-02  0.224978D-01  0.132866D+01
      2  -0.261850D+00 -0.311783D-02 -0.739300D+01  0.172011D+01  0.358410D+00
      3   0.465573D+00  0.224978D-01  0.172011D+01 -0.130747D+01  0.713225D-01
               296           297 
      1   0.358410D+00  0.713225D-01
      2   0.284769D+01 -0.161541D+01
      3  -0.161541D+01  0.892908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.241600D+01  0.216273D+01  0.182567D+01  0.883929D+01  0.131684D+01
      2   0.589319D+01 -0.160539D+01  0.380773D+01 -0.195259D+01 -0.880603D+00
      3   0.126246D+02 -0.178548D+01 -0.347934D+00  0.101323D+02 -0.446253D+00
                 6             7             8             9            10 
      1  -0.229546D+01 -0.774883D+00  0.249838D+01  0.221180D+00 -0.385116D+01
      2  -0.152495D+00 -0.862323D+01  0.379563D+00  0.177184D-01 -0.144120D+02
      3  -0.489974D+01 -0.120622D+02 -0.198727D+01  0.670329D+00 -0.274227D+02
                11            12            13            14            15 
      1  -0.564929D+00  0.157342D+01  0.170558D+01  0.673213D+00 -0.943664D+01
      2  -0.129899D+00 -0.279976D+01  0.189217D+01 -0.210954D+01 -0.160857D+00
      3  -0.605228D+00  0.794481D+00  0.104426D+02 -0.159467D+01  0.298250D+00
                16            17            18            19            20 
      1  -0.329891D+01 -0.284391D+01 -0.659269D+00 -0.256991D+01 -0.105037D+01
      2  -0.229909D+02 -0.275022D+01 -0.329737D+01 -0.760859D+01  0.158460D+00
      3   0.239993D+01  0.665624D+00  0.300369D+00 -0.108452D+02  0.141028D+00
                21            22            23            24            25 
      1  -0.118962D+01 -0.541756D+01  0.277363D+01 -0.118396D+00 -0.263234D+00
      2   0.835607D+01 -0.167504D+01  0.459981D+00 -0.137603D+01 -0.107633D+02
      3  -0.118006D+00  0.119127D+02  0.929845D+00  0.339849D+01 -0.103225D+02
                26            27            28            29            30 
      1   0.352818D+01  0.768208D+00  0.143209D+01 -0.582475D-01 -0.241950D+01
      2   0.680514D+00  0.163003D+01  0.101673D+02  0.124424D+01 -0.361580D+01
      3   0.349766D+01 -0.131703D+01  0.220312D+02  0.128752D+00 -0.112656D+01
                31            32            33            34            35 
      1  -0.301907D+01  0.106579D+01 -0.959557D+01 -0.416842D+01 -0.245843D+01
      2  -0.400387D+00  0.313985D+01  0.147814D+01 -0.246046D+02  0.806298D+00
      3   0.599284D+01  0.379153D+01 -0.942889D+00 -0.268883D+00 -0.383592D+01
                36            37            38            39            40 
      1  -0.103042D+00 -0.104619D+01  0.984430D+00 -0.105666D+01  0.668293D+01
      2  -0.713670D+00 -0.881422D+01 -0.145673D+01  0.566938D+01 -0.875514D+00
      3   0.330513D+01 -0.831786D+01 -0.650262D+00  0.169725D+01  0.135460D+02
                41            42            43            44            45 
      1  -0.224964D+01 -0.329111D+01  0.273804D+01  0.170777D+01 -0.102586D+01
      2  -0.164543D+01 -0.225785D+00  0.370768D+01  0.528903D+00 -0.276834D+01
      3   0.499063D+00 -0.316894D+01  0.119208D+02 -0.171643D+01 -0.176209D+01
                46            47            48            49            50 
      1   0.279411D+01 -0.137796D+01  0.135960D+01 -0.630364D+01 -0.170237D+01
      2   0.990892D+01  0.258188D+00  0.107906D+02 -0.110777D+01  0.779164D+00
      3   0.133670D+02 -0.720653D+00  0.401013D+00  0.118515D+02 -0.918957D+00
                51            52            53            54            55 
      1  -0.274004D+01  0.129554D+01  0.239289D+01 -0.215807D+00  0.308607D+01
      2  -0.156165D+01  0.215379D+01 -0.106524D+00  0.496802D+01  0.261866D+01
      3   0.311376D+01  0.109595D+02  0.109434D+01  0.770717D+00  0.152069D+02
                56            57            58            59            60 
      1   0.175091D+01 -0.136006D+01  0.502842D+01  0.400052D+01  0.144593D+01
      2   0.453945D+00 -0.363828D+01  0.140122D+01  0.589939D+01  0.133247D+02
      3   0.693219D+01 -0.110653D+01  0.364765D+02  0.805470D+01 -0.538093D+01
                61            62            63            64            65 
      1  -0.195488D+01  0.679831D+01 -0.170118D+01 -0.424629D+01 -0.996703D+00
      2  -0.224420D+02  0.138717D+02 -0.544069D+01  0.774936D+01 -0.311769D+01
      3  -0.682823D+01 -0.631534D+01 -0.894554D+01 -0.168213D+02 -0.181801D+02
                66            67            68            69            70 
      1  -0.157816D+01 -0.222531D+01 -0.713600D+00 -0.430601D-01  0.179313D+01
      2   0.145528D+02 -0.773470D+01 -0.606257D+01 -0.166590D+02  0.105982D+02
      3   0.514657D+01 -0.267927D+02 -0.606501D+01  0.552940D+01  0.935004D+01
                71            72            73            74            75 
      1   0.721479D+01 -0.772494D+00  0.186278D+01  0.214964D+01 -0.391800D+00
      2  -0.161164D+02  0.158045D+02 -0.844625D+01  0.509178D+01 -0.135970D+02
      3   0.807137D+01  0.156938D+02  0.925200D+01  0.166570D+02 -0.671527D+01
                76            77            78            79            80 
      1   0.398135D+01  0.853810D+00 -0.526438D+01 -0.131873D+00 -0.142332D+01
      2   0.655777D+01  0.132340D+02  0.218017D+02 -0.276729D+02  0.215136D+02
      3   0.349957D+02  0.106582D+02 -0.172677D+02 -0.709907D+01 -0.151737D+02
                81            82            83            84            85 
      1  -0.237140D+01  0.284543D+01 -0.447017D+01  0.463820D+01 -0.612158D+01
      2  -0.157715D+01 -0.138313D+02  0.636963D+01 -0.225637D+01  0.826502D+01
      3  -0.207688D+02  0.214765D+02  0.429003D+01 -0.741086D+01  0.125406D+02
                86            87            88            89            90 
      1  -0.968654D+01 -0.687902D+01  0.607652D+01 -0.383319D+00  0.885978D+01
      2   0.991865D+01  0.901593D+01 -0.854756D+01  0.830625D+01 -0.973756D+01
      3   0.804275D+01 -0.527269D+01 -0.866503D+01 -0.907071D+01 -0.127292D+02
                91            92            93            94            95 
      1   0.792504D+00  0.641473D+00  0.179205D+01  0.201254D+01 -0.592217D+00
      2  -0.371682D+01 -0.314655D+01  0.639822D+00  0.553419D+00 -0.901802D+01
      3   0.627818D+00  0.138839D+01  0.244537D+01  0.323171D+02 -0.981036D+01
                96            97            98            99           100 
      1  -0.348528D+01  0.252372D+01  0.458179D+01 -0.195565D+01 -0.119823D+01
      2   0.666623D+00 -0.165696D+02  0.165217D+01  0.170466D+02  0.448911D+01
      3   0.535760D+01 -0.261213D+01  0.970591D+01 -0.266667D+01  0.111215D+02
               101           102           103           104           105 
      1  -0.590412D+01 -0.309850D+01 -0.192219D+01 -0.125321D+00  0.609392D+00
      2   0.669262D-01  0.360909D+01 -0.175840D+01  0.647829D+01  0.520026D+01
      3  -0.148242D+02 -0.114872D+01 -0.922893D+01  0.341016D+01 -0.203436D+01
               106           107           108           109           110 
      1  -0.573031D+01 -0.989169D+00 -0.436016D+01  0.431188D+01  0.359554D+01
      2  -0.460935D+01  0.432571D+01 -0.231011D+02  0.894739D+01 -0.115629D+01
      3  -0.478822D+01  0.711476D+01 -0.225318D+01 -0.343579D+01 -0.358692D+01
               111           112           113           114           115 
      1   0.273794D+01  0.742673D+00  0.112065D+01 -0.330589D+01  0.336653D+01
      2   0.898029D+01  0.362106D+00  0.609656D+01 -0.511233D+01  0.635884D+01
      3  -0.113869D+01 -0.467092D+00  0.258090D+01 -0.645806D+01  0.908250D+01
               116           117           118           119           120 
      1   0.835713D+01  0.109726D+02 -0.332616D+01  0.239319D+01 -0.549901D+00
      2  -0.369494D+01  0.356086D+02 -0.546839D+01  0.160927D+01  0.106689D+01
      3  -0.167904D+02  0.344789D+01  0.599977D+00  0.670307D+01  0.161788D+01
               121           122           123           124           125 
      1   0.161717D+00 -0.423103D+01 -0.378984D+01 -0.254885D+01  0.649008D+01
      2  -0.709789D+00 -0.952471D+01 -0.152971D+01 -0.258010D+01 -0.453977D+01
      3   0.650997D+01 -0.462803D+01  0.850181D+01 -0.380889D+01  0.153515D+02
               126           127           128           129           130 
      1  -0.787685D+01  0.209253D+01  0.203112D+01  0.208125D+01 -0.886643D+00
      2  -0.103584D+02 -0.621144D+01 -0.677964D-01 -0.114018D+01  0.143359D+01
      3   0.567585D+01 -0.331199D+01 -0.127197D+01 -0.191018D+01  0.254826D+01
               131           132           133           134           135 
      1  -0.960216D-01 -0.199804D+01  0.283818D+01  0.303542D+01  0.473994D+01
      2  -0.359738D-03 -0.179178D+00 -0.414491D+01 -0.251341D+00  0.120073D+01
      3   0.318162D+00  0.441468D+00 -0.268230D+01 -0.201149D+01 -0.199622D+01
               136           137           138           139           140 
      1   0.173834D+01 -0.169035D+01 -0.187720D+01  0.331891D+00  0.183504D+00
      2   0.506599D+01  0.299292D-01 -0.184352D+01 -0.494193D+00 -0.788408D-01
      3   0.164329D+01 -0.666464D+00 -0.161653D+01  0.111309D+01 -0.270473D-01
               141           142           143           144           145 
      1  -0.156965D+01 -0.188148D+01  0.386087D+01  0.531181D+01 -0.238648D+01
      2   0.317515D+00 -0.471600D+01 -0.177106D+00 -0.933694D+00 -0.730928D+01
      3  -0.241743D-01 -0.140210D+01  0.160491D+01  0.187358D+01  0.257259D+01
               146           147           148           149           150 
      1   0.257549D+01 -0.142135D+01  0.355569D+00 -0.455453D+00 -0.981955D+00
      2   0.114229D+01 -0.151296D+01  0.106510D+01 -0.965345D-01  0.341066D+00
      3  -0.151613D+01  0.140902D+01  0.515561D+00  0.400628D+00 -0.209221D+00
               151           152           153           154           155 
      1  -0.190988D+01  0.345366D+01 -0.353519D+01 -0.195786D+01 -0.155663D+01
      2  -0.432670D+01  0.690891D-01  0.100870D+01  0.451715D+01  0.400160D+00
      3   0.157352D+01 -0.215981D+01  0.204311D+01 -0.140070D+01 -0.711109D+00
               156           157           158           159           160 
      1   0.127756D+01  0.182235D+00 -0.215826D+00 -0.149905D+01  0.257800D+01
      2  -0.147419D+01 -0.149787D+00 -0.331761D+00 -0.390043D-01 -0.450139D+01
      3   0.124018D+01  0.151590D+01  0.213882D+00 -0.330288D-01  0.193929D+01
               161           162           163           164           165 
      1   0.378698D+01 -0.530524D+01 -0.117969D+01 -0.910609D-01  0.142894D+01
      2  -0.360563D+00 -0.226626D+01 -0.496278D+01  0.138644D+01  0.413819D+01
      3   0.181041D+01 -0.171865D+01 -0.311653D+00 -0.409952D+01  0.111875D+00
               166           167           168           169           170 
      1   0.416450D+00 -0.131597D+01 -0.347478D+01  0.270116D+01 -0.108433D+01
      2   0.221373D+01 -0.835711D+01 -0.717470D+01  0.568258D+01 -0.955889D+01
      3  -0.365109D+01  0.107048D+02  0.577058D+01  0.381071D+01  0.913598D+01
               171           172           173           174           175 
      1  -0.385908D+01  0.198040D+01 -0.310318D+00  0.187632D+01 -0.141337D+01
      2  -0.976465D+01  0.657149D+01 -0.236228D+01  0.570827D+01 -0.174814D+01
      3   0.531314D+01 -0.139165D+00 -0.472480D+01  0.341876D+00 -0.257605D+01
               176           177           178           179           180 
      1   0.819264D+00 -0.302844D+01  0.199916D+01 -0.614863D+00  0.515692D+01
      2   0.358937D+01 -0.483469D+01  0.270086D+01 -0.744536D+01  0.131628D+02
      3   0.445856D+01 -0.247277D+01 -0.274494D+01 -0.585405D+01  0.415831D+01
               181           182           183           184           185 
      1   0.223864D+01  0.124476D+01  0.143503D+01  0.378844D+00 -0.640611D+00
      2  -0.101905D+02  0.180958D+01 -0.639166D+01  0.178536D+01 -0.524665D+01
      3  -0.258288D+01  0.343810D+01 -0.280827D+01  0.599895D+01 -0.572405D+01
               186           187           188           189           190 
      1  -0.192185D+01  0.155582D+01  0.162096D+01  0.315220D+01  0.132376D+01
      2   0.748102D+01 -0.102000D+02  0.703837D+01 -0.217384D+02 -0.580153D+01
      3   0.479799D+01 -0.313402D+01  0.471230D+01 -0.853589D+01  0.562563D+01
               191           192           193           194           195 
      1  -0.954189D+00 -0.303361D+00 -0.153190D+01  0.400109D+01  0.116279D+01
      2   0.165763D+01  0.598050D+01  0.361388D+01 -0.124056D+02 -0.154428D+02
      3  -0.515963D+01 -0.278370D+01 -0.791068D+01  0.166970D+02  0.135653D+02
               196           197           198           199           200 
      1  -0.112465D+01  0.461554D+01  0.231931D+01  0.132903D+00 -0.221130D-01
      2   0.962545D+01 -0.140691D+02 -0.242052D+02  0.128892D+02 -0.394645D+01
      3  -0.431286D+01  0.142635D+02  0.144369D+02  0.494457D+01 -0.736272D+01
               201           202           203           204           205 
      1   0.525700D+00 -0.792594D+00 -0.580705D-01 -0.120529D+01 -0.250651D-01
      2   0.120029D+02 -0.503739D+01  0.504294D+01 -0.928965D+01  0.148855D+02
      3   0.354223D+01 -0.809303D+01  0.683208D+01 -0.389702D+01  0.544847D+01
               206           207           208           209           210 
      1   0.148103D+01  0.685574D+00 -0.199190D+01 -0.196282D+01 -0.545519D+00
      2  -0.854828D+01  0.233084D+02 -0.200308D+01 -0.211355D+01  0.626444D+01
      3  -0.779153D+01  0.801775D+01 -0.134191D+02 -0.139258D+02  0.409415D+01
               211           212           213           214           215 
      1  -0.243205D+01 -0.442645D+01 -0.124079D+01 -0.473424D-02  0.181076D+01
      2  -0.418994D+01 -0.581699D+01  0.640138D+01  0.759774D+01  0.353263D+01
      3  -0.191501D+02 -0.302522D+02  0.827043D+01  0.489247D+01  0.781100D+01
               216           217           218           219           220 
      1   0.269903D+00 -0.369385D+01  0.173738D+01 -0.412374D+01  0.144124D+01
      2  -0.527358D+01  0.533382D+01  0.246658D+00  0.727316D+01 -0.364600D+00
      3  -0.388209D+01  0.664921D+00 -0.450202D+01  0.244010D+01 -0.202700D+01
               221           222           223           224           225 
      1  -0.226131D+01  0.285731D+01 -0.411076D+01  0.451186D+01 -0.120767D+02
      2   0.188929D+01 -0.616782D+01  0.257454D+01 -0.766349D+00  0.209811D+02
      3   0.266013D+01 -0.289235D+01  0.305011D+01 -0.484170D+01  0.343106D+01
               226           227           228           229           230 
      1  -0.345394D+01 -0.901538D+00  0.222546D+01 -0.666500D+00  0.295582D+00
      2   0.146594D+02 -0.271111D+01 -0.323972D+01 -0.158333D+01  0.191597D+01
      3  -0.220008D+02  0.542618D+01  0.483634D+01  0.668009D+01 -0.551296D+01
               231           232           233           234           235 
      1  -0.450000D+00  0.253552D+01  0.132652D+01 -0.164538D+01  0.191881D+01
      2  -0.122463D-01 -0.629444D+01  0.519177D+00  0.333769D+01 -0.123780D+01
      3  -0.137368D+01  0.398245D+01 -0.133426D+00 -0.205772D+01 -0.614420D+01
               236           237           238           239           240 
      1   0.284519D+01 -0.271564D+01  0.434005D+01  0.766404D+01 -0.426823D+01
      2  -0.182131D+01  0.380296D+01 -0.314970D+01 -0.369556D+01  0.387707D+01
      3  -0.839934D+01 -0.149010D+00 -0.585921D+01 -0.266849D+02  0.535246D-01
               241           242           243           244           245 
      1  -0.218396D+01 -0.162849D+01  0.140937D+01  0.462240D+00 -0.651545D+00
      2   0.270576D+01  0.309405D+01 -0.129440D+01 -0.672013D+01  0.586450D+00
      3   0.146078D+01  0.538233D+01 -0.151272D+01 -0.883881D+00 -0.228031D+01
               246           247           248           249           250 
      1  -0.749841D+00 -0.482643D+00  0.829496D+00 -0.237665D+00 -0.123050D+01
      2   0.384510D+01  0.375440D+00 -0.182349D+01 -0.357768D-01  0.156120D+01
      3  -0.118910D+01 -0.161379D+01  0.111660D+01  0.240351D+01 -0.115324D+01
               251           252           253           254           255 
      1   0.322461D+01  0.259192D+01 -0.172451D+01  0.632363D+00 -0.281638D+01
      2  -0.486375D+00 -0.202873D+02  0.927932D+01  0.124363D+01  0.693946D+01
      3   0.332409D+01  0.190084D+01 -0.193064D+02 -0.156508D+02  0.197986D+01
               256           257           258           259           260 
      1  -0.139846D+01 -0.624650D+01  0.462276D+00 -0.660718D+00  0.594106D+01
      2   0.411901D+01  0.107301D+02 -0.354581D+01  0.426732D+01 -0.507897D+01
      3  -0.802622D+01  0.134498D+02 -0.951163D+01  0.108165D+01 -0.119882D+02
               261           262           263           264           265 
      1   0.840452D+01  0.714415D+00 -0.123108D+01  0.872265D+00 -0.213775D+01
      2  -0.186581D+02  0.141458D+00 -0.847816D+00  0.797975D+00 -0.950805D+00
      3   0.592714D+01  0.301581D+01 -0.457925D+01 -0.586337D+00 -0.370268D+01
               266           267           268           269           270 
      1   0.672077D+01 -0.353000D+01  0.119129D+01 -0.313041D+01  0.219604D+01
      2   0.250884D+01 -0.405811D+01  0.101350D+01 -0.384472D+01  0.160551D+01
      3   0.249197D+02 -0.906546D+00  0.228883D+01 -0.105455D+02  0.320791D+01
               271           272           273           274           275 
      1  -0.185157D+01 -0.479455D+00  0.852491D+00 -0.308683D+00 -0.208957D+01
      2   0.484909D+01 -0.449905D+00 -0.194676D+01  0.912381D+00  0.313481D+01
      3   0.110972D+00  0.167723D+01  0.155250D+01  0.132998D+01 -0.187333D+01
               276           277           278           279           280 
      1  -0.162265D+01  0.214990D-01  0.704714D+00 -0.118342D+02  0.827194D+00
      2   0.283666D+01 -0.219390D+01  0.518356D+01  0.239950D+02 -0.356579D+01
      3  -0.256950D+01  0.177656D+01 -0.541502D+01 -0.470610D+01  0.166071D+02
               281           282           283           284           285 
      1   0.530401D-01 -0.216121D+01  0.362880D+00  0.750281D+00 -0.435723D+00
      2   0.239699D+00  0.704808D+01 -0.684375D+00 -0.143695D+01  0.116030D+00
      3  -0.601588D+01 -0.124131D+01 -0.400835D+01  0.106161D+01  0.125842D+01
               286           287           288           289           290 
      1  -0.233618D+01  0.337172D+00 -0.373195D+00  0.150763D+01 -0.523669D+00
      2   0.440712D+01  0.812321D+00  0.498664D+00 -0.248748D+01  0.848185D+00
      3  -0.113263D+01  0.204599D+01  0.959049D+00 -0.495380D+01  0.810012D+01
               291           292           293           294           295 
      1   0.185656D+01 -0.197214D+00  0.412766D+01 -0.495773D+01  0.930045D+00
      2  -0.168874D+01  0.162382D-01 -0.628651D+01  0.469962D+01 -0.215481D+01
      3  -0.215957D+01  0.478314D+01 -0.274572D+02  0.685852D+01 -0.200021D+01
               296           297 
      1  -0.238782D+01  0.251728D+01
      2   0.567593D+01 -0.306191D+01
      3   0.100387D+02 -0.628105D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.790473D+01  0.276689D+01 -0.265373D+02  0.718465D+01 -0.121030D+02
      2   0.470040D+01 -0.258764D+01  0.782836D+01 -0.708979D+01  0.129419D+02
      3   0.320433D+01 -0.179244D+00  0.187089D+02 -0.948655D-01 -0.838931D+00
      4   0.597980D+01  0.302309D+01  0.295752D+01  0.100885D+02 -0.277443D+01
      5  -0.144326D+02  0.300150D+01 -0.583546D+01  0.411787D+01  0.631377D+01
      6   0.307137D+01  0.375705D+01 -0.271751D+01  0.475513D+01 -0.887486D+01
                 6             7             8             9            10 
      1   0.928764D+01  0.343369D+02  0.247424D+01  0.100886D+02  0.449296D+02
      2  -0.107837D+02 -0.218928D+01 -0.549561D+01  0.242857D+01 -0.181543D+02
      3   0.149603D+01 -0.321476D+02  0.302137D+01 -0.125172D+02 -0.267752D+02
      4   0.599304D+01 -0.341479D+01  0.451146D+01  0.310022D+01 -0.108039D+02
      5   0.256719D+01  0.302254D+01  0.197523D+01 -0.102744D+02 -0.986471D+01
      6   0.128304D+02  0.446145D+01  0.380151D+01  0.319172D+01  0.613017D+01
                11            12            13            14            15 
      1   0.701502D+01 -0.508870D+01  0.745780D+01  0.115135D+01  0.125134D+01
      2  -0.574745D+01  0.107641D+01 -0.113986D+02  0.927431D+01  0.118222D+01
      3  -0.126757D+01  0.401228D+01  0.394084D+01 -0.104257D+02 -0.243356D+01
      4   0.111129D+01  0.206826D+00  0.214651D+02 -0.421886D+01 -0.123350D+01
      5  -0.503208D+00  0.915362D+01  0.479413D+01 -0.416977D+00 -0.239838D+01
      6   0.151267D+01 -0.694569D+01  0.823878D+00  0.196622D+01  0.505221D+01
                16            17            18            19            20 
      1  -0.988870D+01 -0.303322D+00 -0.233524D+02  0.786118D+01 -0.609364D+01
      2  -0.897667D+00  0.274161D+01  0.554286D+00 -0.199562D+00  0.460854D+01
      3   0.107864D+02 -0.243829D+01  0.227982D+02 -0.766162D+01  0.148510D+01
      4   0.193174D+01 -0.168725D+01 -0.374466D+01 -0.489154D+01 -0.539540D+00
      5  -0.188610D+02 -0.312120D+01  0.115198D+01  0.138807D+02 -0.460878D+00
      6  -0.378766D+00 -0.243827D+01 -0.211392D+01 -0.200221D+01 -0.481348D+01
                21            22            23            24            25 
      1   0.272753D+02 -0.703929D+00 -0.112463D+02 -0.193499D+01 -0.188855D+02
      2  -0.107307D+02  0.244705D+01  0.841294D+01 -0.556373D+01 -0.301812D+01
      3  -0.165446D+02 -0.174312D+01  0.283340D+01  0.749872D+01  0.219036D+02
      4   0.877139D+00  0.116668D+02  0.339948D+01 -0.540566D+01 -0.467215D+01
      5  -0.110559D+02 -0.417931D+01 -0.459044D+01  0.186380D+01  0.711935D+01
      6   0.704295D+01 -0.450744D+01 -0.514321D+01  0.142638D+02 -0.250561D+01
                26            27            28            29            30 
      1   0.883671D+00  0.121053D+02  0.130992D+02  0.170442D+00  0.184181D+01
      2  -0.328205D+01  0.517239D+01 -0.632910D+00  0.356931D+01  0.161571D+01
      3   0.239838D+01 -0.172777D+02 -0.124662D+02 -0.373975D+01 -0.345752D+01
      4  -0.581057D+01 -0.704716D+00  0.228363D+02  0.225232D+01  0.538586D+00
      5  -0.730034D+00  0.963266D+01  0.102421D+00  0.536238D+00  0.740523D+01
      6   0.610387D+01  0.865562D+00 -0.498973D+00 -0.239118D+01  0.346472D+01
                31            32            33            34            35 
      1  -0.324326D+01  0.179181D+01  0.173170D+01 -0.458763D+01  0.312318D+01
      2   0.503304D+01  0.675285D+01 -0.103738D+01 -0.992081D+00  0.806784D+00
      3  -0.178978D+01 -0.854466D+01 -0.694314D+00  0.557971D+01 -0.392997D+01
      4   0.195596D+02  0.182328D+01  0.203936D+01  0.245411D+00  0.525875D+01
      5   0.841205D+00  0.167154D+01 -0.485015D+00 -0.223571D+02 -0.266785D+00
      6  -0.320461D+01  0.987583D+00  0.296494D+01  0.164892D+01 -0.320853D+01
                36            37            38            39            40 
      1  -0.266753D+02  0.905391D+00 -0.961371D+00 -0.270403D+02 -0.225728D+01
      2   0.136845D+01 -0.581405D+00  0.232590D+01  0.991248D+01  0.132833D+01
      3   0.253068D+02 -0.323986D+00 -0.136453D+01  0.171278D+02  0.928944D+00
      4  -0.255705D+01 -0.131415D+01  0.121846D+01  0.245570D+00  0.561718D+01
      5  -0.458346D+00 -0.221358D+02  0.131558D+01 -0.136850D+01  0.282944D+01
      6  -0.346866D+01  0.468749D+01  0.457989D+01  0.367241D+01  0.657916D+01
                41            42            43            44            45 
      1  -0.835390D+01 -0.136361D+01  0.229307D+02 -0.401860D+01  0.133952D+02
      2   0.936162D+01  0.235191D+01  0.328440D+01  0.159921D+01  0.609303D+00
      3  -0.100773D+01 -0.988305D+00 -0.262150D+02  0.241939D+01 -0.140045D+02
      4   0.223033D+01  0.636800D+01  0.609828D+01  0.530086D+01  0.247470D+01
      5   0.369597D+01  0.248917D+01  0.132710D+02  0.980176D+00 -0.934438D+01
      6   0.270905D+01  0.892501D+01  0.357421D+00  0.386884D+01  0.502414D+01
                46            47            48            49            50 
      1  -0.161685D+01 -0.279335D+01  0.247168D+02  0.494755D+01 -0.108593D+02
      2   0.580604D+01  0.371787D+00 -0.841746D+01 -0.259258D+01  0.106297D+02
      3  -0.418919D+01  0.242156D+01 -0.162994D+02 -0.235498D+01  0.229612D+00
      4   0.273590D+01  0.773064D+00 -0.144814D+01  0.323483D+01 -0.188395D+00
      5   0.241182D+02 -0.139640D+01 -0.657370D+01 -0.579032D+01 -0.324257D+01
      6  -0.452892D+01 -0.259246D+01  0.513449D+00 -0.338368D+01  0.691915D+01
                51            52            53            54            55 
      1  -0.112090D+02 -0.252417D+02 -0.470515D+01  0.136231D+02 -0.321580D+02
      2   0.787686D+01  0.221162D+01  0.471040D+01  0.573860D+01  0.152380D+02
      3   0.333216D+01  0.230301D+02 -0.525386D-02 -0.193617D+02  0.169200D+02
      4  -0.476991D+01  0.408981D+01 -0.377577D+01 -0.238450D+00 -0.253879D+01
      5  -0.819575D-01  0.110996D+02 -0.227834D+00  0.894084D+01  0.243110D+01
      6   0.125250D+02 -0.227366D+01  0.499281D+01  0.225730D+01 -0.461198D+01
                56            57            58            59            60 
      1  -0.111244D+02 -0.159895D+01 -0.440311D+02 -0.276677D+02  0.888026D+01
      2   0.687530D+01  0.110716D+01  0.250337D+02  0.117123D+02 -0.609882D+01
      3   0.424908D+01  0.491792D+00  0.189974D+02  0.159554D+02 -0.278144D+01
      4  -0.197708D+02  0.223685D+01 -0.475382D+02  0.556550D+01  0.111147D+02
      5   0.309772D+01 -0.144391D+02  0.679121D+01  0.118938D+02  0.220917D+02
      6  -0.871653D+00  0.533844D+01  0.257771D+01 -0.674865D+01 -0.972070D+01
                61            62            63            64            65 
      1   0.745194D+01  0.813404D+01 -0.116755D+02 -0.392023D+02  0.111688D+02
      2  -0.880942D+00 -0.471037D+01  0.262711D+01  0.261473D+02 -0.521519D+01
      3  -0.657100D+01 -0.342367D+01  0.904837D+01  0.130550D+02 -0.595364D+01
      4   0.230897D+01  0.131247D+02  0.312620D+02  0.137913D+02  0.252386D+02
      5  -0.298550D+02  0.275930D+02 -0.821161D+01  0.251928D+02 -0.633136D+01
      6   0.127501D+02 -0.116101D+02 -0.736210D+00  0.558575D+01 -0.499476D+00
                66            67            68            69            70 
      1   0.282869D+02  0.492042D+02  0.420882D+02 -0.121936D+02  0.270124D+02
      2  -0.133869D+02 -0.209660D+02 -0.182689D+02  0.287353D+01 -0.130331D+02
      3  -0.149000D+02 -0.282382D+02 -0.238193D+02  0.932011D+01 -0.139793D+02
      4  -0.441148D+01  0.446494D+02  0.790466D+01 -0.138471D+02 -0.732495D+01
      5   0.152428D+02 -0.167776D+02 -0.161730D+02 -0.267256D+02  0.266982D+02
      6   0.598408D+01 -0.317981D+01 -0.149140D+01 -0.604677D+01  0.176423D+01
                71            72            73            74            75 
      1  -0.764990D+01  0.360373D+02  0.468421D+02 -0.129765D+02 -0.288423D+02
      2  -0.254274D+01 -0.174370D+02 -0.278080D+02  0.365845D+01  0.132872D+02
      3   0.101926D+02 -0.186003D+02 -0.190342D+02  0.931810D+01  0.155551D+02
      4  -0.156231D+02 -0.251023D+02 -0.181078D+02 -0.366794D+02  0.124271D+02
      5  -0.272881D+02  0.192109D+02 -0.255198D+02  0.138597D+02 -0.252663D+02
      6  -0.525446D+01  0.782159D+01  0.219106D+01  0.647160D+01 -0.104521D+01
                76            77            78            79            80 
      1  -0.254704D+02 -0.445676D+02  0.203146D+02 -0.314893D+02  0.173177D+02
      2   0.684151D+01  0.227155D+02 -0.218726D+01  0.137478D+02 -0.110150D+01
      3   0.186289D+02  0.218521D+02 -0.181274D+02  0.177415D+02 -0.162162D+02
      4  -0.578955D+02 -0.241375D+02  0.316668D+02  0.153522D+02  0.277501D+02
      5   0.202776D+02  0.346764D+02  0.374753D+02 -0.402553D+02  0.382178D+02
      6   0.107820D+02  0.455188D+01 -0.654948D+01  0.350080D+00 -0.568808D+01
                81            82            83            84            85 
      1  -0.372288D+02  0.497347D+02 -0.918829D+01 -0.125907D+02 -0.148636D+02
      2   0.229783D+02 -0.327786D+02 -0.754954D+01  0.149978D+02 -0.951098D+01
      3   0.142506D+02 -0.169561D+02  0.167378D+02 -0.240710D+01  0.243746D+02
      4   0.368941D+02 -0.483783D+01 -0.284046D+02  0.142645D+01 -0.356479D+02
      5  -0.732597D-02 -0.928116D+01  0.378263D+01 -0.168750D+02  0.821702D+01
      6  -0.603108D+01 -0.580543D+01 -0.221460D+00 -0.504561D+01  0.119211D+01
                86            87            88            89            90 
      1  -0.222116D+02 -0.599694D+00 -0.143291D+02 -0.172615D+01 -0.223070D+02
      2  -0.792472D+01 -0.735752D+00  0.175602D+02  0.489793D+01  0.267903D+02
      3   0.301363D+02  0.133545D+01 -0.323110D+01 -0.317178D+01 -0.448325D+01
      4  -0.371328D+02  0.148293D+02  0.395776D+01  0.239697D+02  0.140617D+02
      5   0.117823D+02  0.235503D+02 -0.231101D+02  0.209151D+02 -0.271856D+02
      6   0.570761D+01  0.955914D+01 -0.354720D+01  0.866062D+01 -0.290462D+01
                91            92            93            94            95 
      1   0.152810D+02 -0.568111D+01  0.284992D+00 -0.135517D+02 -0.197568D+02
      2  -0.112852D+02 -0.244155D+01 -0.265410D+01  0.171886D+01  0.495371D+01
      3  -0.399584D+01  0.812266D+01  0.236911D+01  0.118329D+02  0.148031D+02
      4  -0.208117D+02 -0.173822D+02 -0.503588D+01 -0.452568D+02  0.409140D+01
      5  -0.806167D+00 -0.417880D+01 -0.667412D+01 -0.433440D+01 -0.107278D+02
      6  -0.208395D+01 -0.610944D+00 -0.263137D+01 -0.310823D+01 -0.290215D+01
                96            97            98            99           100 
      1  -0.162270D+01 -0.110398D+02 -0.286440D+01 -0.205250D+01 -0.388935D+01
      2   0.101176D+01 -0.422372D+01 -0.595125D+00  0.113431D+02  0.353632D+01
      3   0.610935D+00  0.152635D+02  0.345952D+01 -0.929060D+01  0.353027D+00
      4  -0.109544D+02 -0.945610D+01 -0.215520D+02  0.276337D+00  0.614300D+01
      5   0.711211D+00 -0.116283D+02  0.182656D+01  0.364031D+02 -0.177014D+02
      6   0.103004D+01 -0.226382D+01  0.160744D+01  0.342272D+01  0.499249D+01
               101           102           103           104           105 
      1   0.195640D+01 -0.849808D+01  0.107224D+02  0.791639D+01  0.464977D+01
      2  -0.432673D+00  0.885285D+01 -0.761430D+01 -0.564112D+01 -0.727015D+01
      3  -0.152373D+01 -0.354771D+00 -0.310810D+01 -0.227527D+01  0.262038D+01
      4   0.166038D+01  0.460563D+01  0.291265D+01 -0.127417D+02  0.108473D+02
      5   0.392478D+01 -0.640615D+01  0.146266D+01  0.102519D+02  0.111922D+02
      6  -0.391838D+01  0.578765D+01  0.359581D+01 -0.972955D+01 -0.837267D+01
               106           107           108           109           110 
      1  -0.250900D+02  0.472948D+01 -0.813068D+01  0.390883D+02 -0.512517D+01
      2   0.173569D+02 -0.454003D+01  0.117746D+02 -0.252859D+02  0.126053D+01
      3   0.773313D+01 -0.189448D+00 -0.364396D+01 -0.138024D+02  0.386465D+01
      4   0.112884D+02 -0.329065D+01  0.110212D+02 -0.131662D+02  0.151287D+02
      5  -0.242625D+02  0.885915D+01 -0.393006D+02  0.356017D+02 -0.386174D+01
      6   0.947122D+01 -0.130628D+02  0.138058D+02 -0.953008D+01  0.282506D+01
               111           112           113           114           115 
      1   0.259841D+02 -0.346378D+01  0.184676D+01  0.124486D+01  0.395496D+02
      2  -0.188724D+02 -0.963838D+00  0.232023D+01 -0.519093D+00 -0.254213D+02
      3  -0.711170D+01  0.442761D+01 -0.416699D+01 -0.725769D+00 -0.141283D+02
      4  -0.772387D+01  0.161919D+02 -0.601807D+01  0.134438D+02 -0.176969D+02
      5   0.267191D+02 -0.656172D+01  0.133394D+02 -0.986209D+01  0.441581D+02
      6  -0.618909D+01  0.500112D+01 -0.688473D+01  0.134475D+02 -0.110123D+02
               116           117           118           119           120 
      1  -0.420098D+00  0.945509D+01  0.152194D+01 -0.118741D+02 -0.949771D+01
      2  -0.328112D+01 -0.306262D+02 -0.122255D+01  0.141909D+02  0.409205D+01
      3   0.370122D+01  0.211711D+02 -0.299395D+00 -0.231686D+01  0.540566D+01
      4   0.266972D+02 -0.117490D+02 -0.179852D+01 -0.369292D+01  0.696930D+01
      5  -0.102781D+02  0.729702D+02 -0.863796D+01  0.245349D+01  0.441170D+01
      6   0.135542D+02 -0.276675D+02  0.482233D+01 -0.976913D-01 -0.185756D+00
               121           122           123           124           125 
      1  -0.627366D+01 -0.959117D+01 -0.511031D+01 -0.110873D+02 -0.700800D+01
      2   0.111697D+02 -0.400900D+00  0.104658D+02  0.500182D-01  0.202000D+02
      3  -0.489603D+01  0.999207D+01 -0.535549D+01  0.110372D+02 -0.131920D+02
      4  -0.202261D+01  0.216938D+02 -0.185121D+02  0.182562D+02 -0.353066D+02
      5   0.712831D+01 -0.184579D+02 -0.556481D+01  0.101109D+02 -0.127663D+02
      6  -0.449535D+01  0.180744D+02  0.103247D+02 -0.385513D+01  0.154444D+02
               126           127           128           129           130 
      1  -0.509584D+01  0.879969D+00  0.161565D+01 -0.363624D+01 -0.843270D+00
      2  -0.125999D+01 -0.658097D+01 -0.897064D+00 -0.592740D+01  0.126948D+01
      3   0.635583D+01  0.570101D+01 -0.718583D+00  0.956364D+01 -0.426215D+00
      4  -0.109230D+02 -0.579150D+01  0.399884D+01 -0.513580D+01  0.155578D+01
      5  -0.221050D+02  0.168059D+02 -0.282339D+01  0.170103D+02 -0.285355D+01
      6   0.166072D+02 -0.622138D+01  0.393863D+01 -0.668734D+01  0.217773D+01
               131           132           133           134           135 
      1  -0.190635D+01  0.205533D+01 -0.526680D+01  0.461766D+01 -0.207915D+02
      2  -0.481943D+00  0.656888D+00 -0.722288D+01 -0.923149D+00 -0.118953D+02
      3   0.238829D+01 -0.271221D+01  0.124897D+02 -0.369451D+01  0.326868D+02
      4  -0.198037D+01  0.265431D+01 -0.434384D+01  0.429411D+01 -0.659573D+01
      5   0.281578D+01 -0.378343D+01  0.177097D+02 -0.350218D+01  0.258922D+02
      6  -0.181494D+01  0.424619D+01 -0.696512D+01  0.780030D+01 -0.145142D+02
               136           137           138           139           140 
      1  -0.262910D+01 -0.291977D+00  0.545799D+01 -0.573261D+00 -0.203685D+01
      2  -0.549346D+01  0.207365D+00  0.566390D+01  0.110756D+00 -0.732018D+00
      3   0.812256D+01  0.846124D-01 -0.111219D+02  0.462505D+00  0.276887D+01
      4   0.279085D+01  0.206170D+01 -0.261420D+01  0.630213D+00  0.328550D-01
      5  -0.113665D+02 -0.701756D+00  0.142053D+02 -0.797549D-01 -0.182826D+01
      6  -0.290449D+01 -0.224832D+01  0.299256D+01 -0.876541D+00 -0.831704D+00
               141           142           143           144           145 
      1   0.933009D+00  0.798562D+01  0.278203D+01 -0.319515D+02  0.299570D+01
      2  -0.680271D-01  0.630206D+01 -0.897366D+00 -0.161941D+02 -0.511592D+01
      3  -0.864982D+00 -0.142877D+02 -0.188466D+01  0.481455D+02  0.212023D+01
      4  -0.125688D+01 -0.290873D+01 -0.280339D+01  0.399280D+01  0.409729D+00
      5  -0.728163D-01  0.136735D+02  0.144805D+01 -0.226704D+02  0.112712D+02
      6   0.354131D+01  0.435615D+01  0.723412D+01 -0.121123D+02  0.153477D+01
               146           147           148           149           150 
      1  -0.621538D+00 -0.149644D+01 -0.858444D+00 -0.612384D+00  0.147240D+01
      2   0.675926D+00 -0.403638D+01  0.650491D+00 -0.921756D+00  0.656118D+00
      3  -0.543874D-01  0.553282D+01  0.207953D+00  0.153414D+01 -0.212852D+01
      4   0.295565D+01  0.728914D+00  0.157466D+01 -0.107951D+01  0.852891D+00
      5  -0.103389D+01  0.102957D+02 -0.132535D+01  0.232878D+01 -0.199443D+01
      6   0.167343D+01  0.159091D+01  0.308803D+00 -0.717848D+00  0.140967D+01
               151           152           153           154           155 
      1  -0.359795D+01  0.864957D+00 -0.151680D+02 -0.237553D+00  0.117120D+01
      2  -0.556498D+01  0.106975D+01 -0.908031D+01 -0.501700D+01 -0.973774D+00
      3   0.916293D+01 -0.193471D+01  0.242483D+02  0.525456D+01 -0.197424D+00
      4   0.154326D+01  0.266557D+01  0.109113D+01 -0.167822D+01  0.197869D+01
      5   0.129914D+02 -0.109589D+01  0.176071D+02 -0.975248D+01  0.405008D+00
      6   0.206900D+01  0.427435D+01  0.379478D+01  0.333082D+01 -0.188351D+01
               156           157           158           159           160 
      1   0.231425D+01 -0.965487D+00 -0.190930D+01  0.876060D+00  0.368791D+01
      2   0.483078D+01  0.370766D+00 -0.632030D+00  0.323264D+00  0.662052D+01
      3  -0.714503D+01  0.594721D+00  0.254133D+01 -0.119932D+01 -0.103084D+02
      4   0.218765D+01  0.120362D+01 -0.572492D+00 -0.134765D+01  0.160508D+01
      5   0.118462D+02  0.415165D+00 -0.214121D+01 -0.591634D+00  0.130735D+02
      6  -0.389295D+01 -0.129174D+01  0.250237D+00  0.274396D+01 -0.366858D+01
               161           162           163           164           165 
      1  -0.172040D+01 -0.243739D+02  0.118600D+02 -0.532849D+01 -0.691033D+01
      2   0.119020D+01 -0.129941D+02 -0.409607D+01  0.713349D+00  0.282204D+01
      3   0.530200D+00  0.373680D+02 -0.776391D+01  0.461514D+01  0.408829D+01
      4  -0.260394D+01 -0.274057D+01 -0.124781D+02  0.147348D+02  0.638204D+01
      5  -0.267349D+00 -0.207476D+02 -0.117096D+02  0.483986D+01  0.871845D+01
      6   0.591761D+01  0.104873D+02  0.540805D+01 -0.232067D+01 -0.281893D+01
               166           167           168           169           170 
      1  -0.292268D+01 -0.322188D+01 -0.375611D+01 -0.197094D+02 -0.598708D+01
      2  -0.292134D+01  0.126946D+02  0.593663D+01  0.867401D+01  0.658135D+01
      3   0.584402D+01 -0.947272D+01 -0.218052D+01  0.110354D+02 -0.594265D+00
      4   0.229876D+02 -0.317809D+02 -0.174306D+02  0.135770D+02 -0.227887D+02
      5   0.760404D+01 -0.159183D+02 -0.127652D+02  0.190937D+02 -0.174967D+02
      6  -0.572702D+01  0.126732D+02  0.103777D+02 -0.890735D+01  0.124171D+02
               171           172           173           174           175 
      1   0.620121D-01  0.162746D+02 -0.412043D+01  0.942974D+01  0.184269D-01
      2  -0.759612D+00 -0.808994D+01  0.275171D-01 -0.456864D+01 -0.246261D+01
      3   0.697600D+00 -0.818466D+01  0.409292D+01 -0.486110D+01  0.244418D+01
      4  -0.203455D+02 -0.118310D+02  0.138072D+02 -0.829805D+01  0.145028D+02
      5  -0.205209D+02  0.158271D+02 -0.646761D+01  0.126192D+02 -0.598417D+01
      6   0.122749D+02 -0.537615D+01  0.247887D+01 -0.345447D+01  0.388735D+01
               176           177           178           179           180 
      1   0.190478D+01  0.588759D+00  0.196355D+02  0.922463D+00  0.166113D+01
      2   0.326819D+01 -0.227291D+01 -0.985209D+01 -0.269437D+01 -0.319052D+01
      3  -0.517296D+01  0.168415D+01 -0.978337D+01  0.177191D+01  0.152939D+01
      4  -0.161119D+02  0.958886D+01 -0.127453D+02  0.157153D+02 -0.177908D+02
      5   0.907625D+01 -0.934406D+01  0.178268D+02 -0.155704D+02  0.270616D+02
      6  -0.582033D+01  0.755580D+01 -0.663232D+01  0.902477D+01 -0.105741D+02
               181           182           183           184           185 
      1  -0.111474D+02  0.397294D+01 -0.164319D+02  0.236568D+01 -0.158644D+02
      2   0.305555D+01 -0.212994D+01  0.582986D+01 -0.174890D+01  0.892826D+01
      3   0.809180D+01 -0.184300D+01  0.106021D+02 -0.616776D+00  0.693614D+01
      4  -0.144825D+01 -0.495669D+01  0.685303D+00 -0.339856D+01  0.774190D+01
      5  -0.900240D+01  0.117348D+01 -0.460538D+01  0.594573D+00 -0.600946D+01
      6  -0.492556D+01  0.191780D+01 -0.443164D+01  0.191742D+01 -0.622593D+01
               186           187           188           189           190 
      1   0.862614D+01 -0.249978D+02  0.797788D+01 -0.255041D+02  0.109018D+02
      2  -0.388038D+01  0.100105D+02 -0.175143D+01  0.402808D+00 -0.807366D+01
      3  -0.474575D+01  0.149872D+02 -0.622645D+01  0.251013D+02 -0.282810D+01
      4  -0.581212D+01 -0.331413D+00 -0.711738D+01  0.999766D+01 -0.114390D+02
      5   0.126777D+02 -0.229001D+01  0.116208D+02 -0.328680D+02 -0.148626D+02
      6   0.986915D+01 -0.298134D+01  0.796051D+01 -0.140530D+02  0.293565D+01
               191           192           193           194           195 
      1  -0.114390D+02 -0.126496D+02 -0.226730D+02  0.125178D+02  0.606322D+01
      2   0.673004D+01  0.824973D+01  0.140827D+02 -0.778281D+01 -0.886042D+01
      3   0.470899D+01  0.439992D+01  0.859027D+01 -0.473502D+01  0.279720D+01
      4   0.109986D+02  0.616828D+01  0.225731D+02 -0.312003D+02 -0.266060D+02
      5   0.726469D+01  0.164317D+02  0.161071D+02 -0.275349D+02 -0.317150D+02
      6  -0.186071D+01 -0.135093D+01 -0.455237D+01  0.849767D+01  0.848980D+01
               196           197           198           199           200 
      1  -0.237808D+02  0.376182D+01  0.145497D+02  0.494267D+02 -0.115405D+02
      2   0.177203D+02 -0.750497D+01 -0.218627D+02 -0.242324D+02  0.564648D+01
      3   0.606053D+01  0.374315D+01  0.731297D+01 -0.251943D+02  0.589400D+01
      4   0.111444D+02 -0.264142D+02 -0.273384D+02 -0.105023D+02  0.140706D+02
      5   0.329080D+02 -0.286508D+02 -0.520521D+02  0.240706D+02 -0.736783D+01
      6  -0.276050D+01  0.827076D+01  0.788690D+01 -0.476846D+00 -0.578629D+00
               201           202           203           204           205 
      1   0.255768D+02 -0.205541D+02  0.178582D+02 -0.990347D+01  0.546093D+02
      2  -0.121384D+02  0.101075D+02 -0.743944D+01  0.346008D+01 -0.276560D+02
      3  -0.134384D+02  0.104466D+02 -0.104187D+02  0.644339D+01 -0.269532D+02
      4  -0.730424D+01  0.216326D+02 -0.131398D+02  0.828677D+01 -0.116697D+02
      5   0.212143D+02 -0.992630D+01  0.789732D+01 -0.164015D+02  0.325506D+02
      6   0.136095D+00 -0.238906D+00 -0.138899D+01  0.277657D+01 -0.872942D-01
               206           207           208           209           210 
      1  -0.119039D+02  0.284570D+02  0.500781D+02  0.299285D+02 -0.965437D+01
      2   0.478681D+01 -0.164948D+02 -0.219709D+02 -0.123831D+02  0.554298D+01
      3   0.711706D+01 -0.119622D+02 -0.281072D+02 -0.175454D+02  0.411139D+01
      4   0.141219D+02 -0.152285D+02  0.369577D+02  0.315463D+02 -0.100765D+02
      5  -0.156818D+02  0.425534D+02 -0.155935D+02 -0.114647D+02  0.140371D+02
      6   0.247222D+01  0.222714D+00 -0.648345D+01 -0.495902D+01  0.301446D+01
               211           212           213           214           215 
      1   0.551690D+02  0.312590D+02 -0.121671D+02 -0.105618D+02 -0.732465D+01
      2  -0.220744D+02 -0.563611D+01  0.590878D+01  0.694024D+01  0.342311D+01
      3  -0.330946D+02 -0.256229D+02  0.625831D+01  0.362156D+01  0.390154D+01
      4   0.528897D+02  0.633272D+02 -0.184899D+02 -0.124116D+02 -0.156255D+02
      5  -0.215707D+02 -0.196848D+02  0.151386D+02  0.225486D+02  0.103913D+02
      6  -0.951218D+01 -0.119883D+02  0.799024D+01  0.517183D+01  0.736023D+01
               216           217           218           219           220 
      1   0.138201D+02  0.115591D+02 -0.140994D+01  0.126733D+02 -0.668129D+01
      2  -0.837903D+01 -0.102804D+02  0.378259D+01 -0.129164D+02  0.691469D+01
      3  -0.544106D+01 -0.127869D+01 -0.237265D+01  0.243144D+00 -0.233405D+00
      4   0.990640D+01  0.322643D+01  0.866550D+01  0.335476D+01  0.574515D+01
      5  -0.143774D+02  0.195079D+02  0.840439D-01  0.231650D+02 -0.604827D+01
      6  -0.441615D+01  0.391578D+01  0.217070D+01  0.496448D+01  0.880045D+00
               221           222           223           224           225 
      1   0.399695D+01 -0.251220D+01  0.150520D+02 -0.199437D+01  0.358742D+01
      2  -0.309799D+01  0.675200D+01 -0.155634D+02  0.465507D+01 -0.243352D+02
      3  -0.898954D+00 -0.423980D+01  0.511346D+00 -0.266070D+01  0.207478D+02
      4  -0.128071D+01  0.466127D+01  0.448790D+01  0.750619D+01  0.202199D+01
      5   0.645408D+01 -0.141380D+02  0.243385D+02 -0.167334D+01  0.534991D+02
      6  -0.133860D+01  0.793219D+00  0.549408D+01  0.439311D+01  0.138607D+02
               226           227           228           229           230 
      1  -0.556994D+02  0.127602D+02  0.117506D+02  0.712728D+01 -0.119877D+02
      2   0.308216D+02 -0.114168D+02 -0.651147D+01 -0.611714D+01  0.111543D+02
      3   0.248778D+02 -0.134346D+01 -0.523917D+01 -0.101014D+01  0.833395D+00
      4  -0.154270D+02 -0.351446D+01 -0.119137D+01  0.227358D+00  0.302518D+01
      5  -0.152931D+01 -0.354028D+01 -0.315861D+01 -0.181226D+01 -0.721578D+00
      6   0.332185D+01 -0.491609D+01 -0.494257D+01 -0.383578D+01  0.186156D+01
               231           232           233           234           235 
      1  -0.433551D+01  0.958754D+01 -0.325538D+01 -0.721448D+01  0.130773D+02
      2   0.275653D+01 -0.505296D+01  0.125025D+01  0.107749D+01  0.313294D+01
      3   0.157899D+01 -0.453458D+01  0.200512D+01  0.613699D+01 -0.162103D+02
      4  -0.116063D+01  0.436019D+00 -0.276698D+01 -0.165761D+01  0.278102D+02
      5  -0.208782D+01  0.703278D+00 -0.593804D+00  0.468885D+01  0.204427D+01
      6   0.158697D+01 -0.397708D+01  0.262726D+01  0.311971D+01  0.171693D+01
               236           237           238           239           240 
      1   0.133092D+02 -0.694842D+00  0.127074D+02 -0.224798D+01 -0.116789D+01
      2   0.578552D+01 -0.123760D+01  0.942807D+01  0.391905D+02 -0.109020D+01
      3  -0.190947D+02  0.193244D+01 -0.221354D+02 -0.369426D+02  0.225809D+01
      4   0.328785D+02  0.781279D-01  0.385166D+02  0.710774D+02 -0.161781D+01
      5   0.240914D+01  0.744414D+01  0.154801D+01  0.158036D+01  0.650194D+01
      6   0.228511D+01  0.368253D+01  0.167330D+01  0.475954D+01  0.658209D+01
               241           242           243           244           245 
      1  -0.459762D+01 -0.228342D+00  0.323036D+01  0.177722D+01  0.110220D+01
      2  -0.125970D+01 -0.624952D+01  0.460895D+00 -0.601868D+01  0.157636D+00
      3   0.585732D+01  0.647786D+01 -0.369126D+01  0.424147D+01 -0.125984D+01
      4  -0.675615D+01 -0.130354D+02  0.780477D+01  0.231628D+01  0.512037D+01
      5   0.804354D+01  0.616647D+01 -0.132884D+01 -0.149112D+02  0.800405D+00
      6   0.417822D+01  0.656310D+01 -0.211430D+01 -0.120715D+01 -0.217633D+00
               246           247           248           249           250 
      1  -0.844813D+01  0.131374D+01  0.151508D+01  0.322623D+00 -0.100503D+02
      2   0.699444D+01  0.320191D+00 -0.183288D+01 -0.137856D+01  0.103846D+02
      3   0.145369D+01 -0.163393D+01  0.317799D+00  0.105594D+01 -0.334317D+00
      4  -0.414451D+00  0.860830D+01 -0.133086D+01 -0.516930D+01 -0.151624D+01
      5   0.136631D+02  0.584098D+00 -0.574839D+01 -0.243570D+00  0.192440D+02
      6   0.975708D+00 -0.144135D+01 -0.719762D+00  0.507042D+01  0.931448D+00
               251           252           253           254           255 
      1   0.449881D+00 -0.409044D+01 -0.862507D+02 -0.916787D+01  0.854520D+01
      2  -0.853789D+00 -0.170692D+02  0.470435D+02  0.145847D+02 -0.611902D+01
      3   0.403908D+00  0.211596D+02  0.392071D+02 -0.541688D+01 -0.242618D+01
      4  -0.804870D+01  0.835825D+00 -0.159583D+02  0.253449D+02  0.295125D+01
      5  -0.584976D+00 -0.455444D+02  0.117586D+02  0.138600D+00  0.877807D+01
      6   0.391102D+01 -0.437064D+01  0.616294D+01 -0.283331D-02  0.475861D+01
               256           257           258           259           260 
      1   0.159631D+02  0.340307D+02 -0.528230D+01  0.186917D+02 -0.448319D+01
      2   0.355688D+01 -0.258247D+02  0.111776D+02 -0.547034D+01  0.147317D+02
      3  -0.195200D+02 -0.820602D+01 -0.589528D+01 -0.132214D+02 -0.102485D+02
      4   0.394681D+02  0.630543D+00  0.177562D+02  0.126071D+02  0.245876D+02
      5   0.456299D+01  0.195717D+02 -0.507320D+01  0.108405D+02 -0.797579D+01
      6   0.358560D+01  0.136856D+02 -0.232182D+01  0.467590D+01 -0.397910D+01
               261           262           263           264           265 
      1   0.172328D+02  0.440980D+01 -0.675368D+01  0.564688D+00 -0.452069D+01
      2  -0.623336D+01  0.370901D+01 -0.369877D+01  0.279561D+00 -0.752570D+01
      3  -0.109994D+02 -0.811881D+01  0.104525D+02 -0.844250D+00  0.120464D+02
      4  -0.303953D+01 -0.135018D+02  0.194830D+02 -0.136455D+01  0.228540D+02
      5  -0.290571D+02 -0.440566D+00 -0.265734D+00  0.230367D+01 -0.263455D+00
      6  -0.140597D+02 -0.385166D+00  0.274328D+00 -0.830553D+00  0.607818D+00
               266           267           268           269           270 
      1  -0.100166D+02 -0.135428D+00  0.181173D+01  0.259424D+01 -0.138795D+01
      2   0.377133D+02 -0.212616D+01  0.363922D+01 -0.142178D+02  0.427270D+01
      3  -0.276967D+02  0.226159D+01 -0.545096D+01  0.116235D+02 -0.288475D+01
      4  -0.573517D+02  0.260555D+01 -0.101108D+02  0.240354D+02 -0.724926D+01
      5   0.828960D+00 -0.726108D+01  0.315145D+01 -0.645997D+01  0.229836D+01
      6  -0.108560D+01  0.517048D+01 -0.256600D+01  0.723812D+01 -0.262721D+01
               271           272           273           274           275 
      1   0.572361D+01  0.301780D+01  0.633002D+01 -0.212685D+01 -0.778784D+01
      2  -0.526219D+01 -0.354685D+01 -0.262963D+01 -0.220074D-01  0.546102D+01
      3  -0.461415D+00  0.529053D+00 -0.370039D+01  0.214886D+01  0.232683D+01
      4   0.102145D+01 -0.336428D+01  0.139139D+01 -0.207561D+01  0.142513D+01
      5   0.430916D+01 -0.294814D+00  0.198395D+00  0.746878D+00  0.484642D+01
      6   0.224181D+01 -0.104030D+01 -0.144218D+01  0.214833D+00  0.293097D+01
               276           277           278           279           280 
      1  -0.261676D+01  0.114636D+02 -0.305996D+01 -0.127994D+02  0.130741D+03
      2   0.199625D+01 -0.531374D+01  0.355688D+01 -0.314032D+01 -0.622454D+02
      3   0.620509D+00 -0.614981D+01 -0.496917D+00  0.159397D+02 -0.684961D+02
      4   0.469971D+01  0.875152D+01  0.123526D+02  0.862589D+01  0.480249D+02
      5   0.527152D+01  0.773998D+01  0.100688D+02  0.414771D+02 -0.523096D+01
      6   0.658724D+01  0.213060D+01  0.941888D+01  0.228804D+02 -0.226793D+01
               281           282           283           284           285 
      1   0.118562D+02 -0.538316D+01 -0.624618D+01  0.829242D+01  0.837574D+00
      2  -0.135210D+01  0.300187D+01  0.643122D+01 -0.187057D+01 -0.176083D+01
      3  -0.105041D+02  0.238129D+01 -0.185041D+00 -0.642185D+01  0.923252D+00
      4   0.196903D+02 -0.907270D+00  0.124456D+02  0.399119D+01 -0.254906D+01
      5   0.456361D-01  0.124085D+02 -0.297618D+00 -0.281944D+01 -0.923723D-01
      6   0.277045D+00  0.364502D+01 -0.217860D+00 -0.143271D+01  0.780871D+00
               286           287           288           289           290 
      1  -0.121574D+02 -0.455323D+00  0.100950D+02 -0.154571D-01  0.141547D+02
      2   0.586142D+01 -0.176453D+01 -0.614720D+01  0.312584D+01 -0.145368D+02
      3   0.629596D+01  0.221986D+01 -0.394776D+01 -0.311038D+01  0.382169D+00
      4  -0.581347D+01 -0.509459D+01  0.465037D+01  0.388805D+01 -0.678249D+01
      5   0.160544D+02  0.255891D+01 -0.718201D+00 -0.353624D+01  0.137181D+01
      6   0.442355D+01  0.209646D+01  0.463167D+00 -0.273962D+01  0.188225D+01
               291           292           293           294           295 
      1  -0.522443D+01  0.890530D+01 -0.306564D+02  0.690082D+01 -0.785185D+01
      2   0.375680D+01 -0.433187D+01  0.478740D+02 -0.100036D+02  0.284402D+01
      3   0.146763D+01 -0.457343D+01 -0.172175D+02  0.310281D+01  0.500783D+01
      4  -0.680982D+00  0.719778D+01  0.446865D+02 -0.106388D+02 -0.650880D+01
      5  -0.275194D+01 -0.817515D+00 -0.130097D+02  0.915141D+01  0.811769D+00
      6  -0.295226D+01 -0.380238D+00 -0.106235D+02  0.877801D+01 -0.246000D+00
               296           297 
      1   0.860033D+01 -0.910806D+01
      2  -0.136702D+02  0.799263D+01
      3   0.506987D+01  0.111543D+01
      4  -0.185468D+02  0.898811D+01
      5   0.112162D+02 -0.600850D+01
      6   0.108812D+02 -0.641120D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Wed Sep  8 14:35:43 2021, MaxMem=  6442450944 cpu:           55242.9 elap:            6913.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.51656 -19.46397 -10.58618 -10.46598 -10.45786
 Alpha  occ. eigenvalues --  -10.45104 -10.44642 -10.44463 -10.44358 -10.44357
 Alpha  occ. eigenvalues --  -10.44268 -10.43771 -10.43598 -10.42623 -10.42225
 Alpha  occ. eigenvalues --   -1.24759  -1.14614  -1.00948  -0.96165  -0.93509
 Alpha  occ. eigenvalues --   -0.88090  -0.87738  -0.81548  -0.81273  -0.79977
 Alpha  occ. eigenvalues --   -0.74015  -0.72845  -0.69625  -0.68300  -0.63858
 Alpha  occ. eigenvalues --   -0.63095  -0.61358  -0.59232  -0.58522  -0.56940
 Alpha  occ. eigenvalues --   -0.56351  -0.55780  -0.54315  -0.53714  -0.53219
 Alpha  occ. eigenvalues --   -0.52599  -0.50172  -0.49506  -0.48908  -0.48247
 Alpha  occ. eigenvalues --   -0.47954  -0.46875  -0.45130  -0.44871  -0.44473
 Alpha  occ. eigenvalues --   -0.43622  -0.42805  -0.42436  -0.40145  -0.35470
 Alpha  occ. eigenvalues --   -0.33627
 Alpha virt. eigenvalues --    0.03477   0.04948   0.05455   0.05730   0.06005
 Alpha virt. eigenvalues --    0.06306   0.07172   0.07894   0.08199   0.09186
 Alpha virt. eigenvalues --    0.09872   0.10233   0.10807   0.11673   0.12016
 Alpha virt. eigenvalues --    0.12905   0.13205   0.13541   0.14659   0.15201
 Alpha virt. eigenvalues --    0.15810   0.16430   0.17033   0.17924   0.18323
 Alpha virt. eigenvalues --    0.19032   0.19472   0.19696   0.20120   0.20435
 Alpha virt. eigenvalues --    0.20669   0.21093   0.21773   0.21794   0.23195
 Alpha virt. eigenvalues --    0.23450   0.23649   0.24671   0.25105   0.25570
 Alpha virt. eigenvalues --    0.26078   0.26176   0.27410   0.28030   0.28390
 Alpha virt. eigenvalues --    0.28886   0.29258   0.29967   0.30343   0.30806
 Alpha virt. eigenvalues --    0.30897   0.31080   0.31711   0.32212   0.33135
 Alpha virt. eigenvalues --    0.33172   0.34037   0.34348   0.34655   0.35059
 Alpha virt. eigenvalues --    0.35108   0.35494   0.35929   0.36173   0.36422
 Alpha virt. eigenvalues --    0.36997   0.37320   0.37419   0.37666   0.38392
 Alpha virt. eigenvalues --    0.38564   0.38920   0.39392   0.39451   0.39945
 Alpha virt. eigenvalues --    0.40239   0.40340   0.40767   0.40813   0.41537
 Alpha virt. eigenvalues --    0.41778   0.41878   0.42506   0.42621   0.42993
 Alpha virt. eigenvalues --    0.43227   0.43348   0.43607   0.43949   0.44529
 Alpha virt. eigenvalues --    0.44856   0.44994   0.45699   0.46208   0.46573
 Alpha virt. eigenvalues --    0.47153   0.47746   0.48166   0.48232   0.48467
 Alpha virt. eigenvalues --    0.48643   0.49059   0.49616   0.50006   0.50262
 Alpha virt. eigenvalues --    0.50451   0.50869   0.51409   0.51428   0.52018
 Alpha virt. eigenvalues --    0.52224   0.52858   0.53362   0.53762   0.54178
 Alpha virt. eigenvalues --    0.54645   0.54845   0.55106   0.55493   0.56192
 Alpha virt. eigenvalues --    0.56431   0.56561   0.56638   0.57178   0.57742
 Alpha virt. eigenvalues --    0.58288   0.58960   0.60000   0.60130   0.60947
 Alpha virt. eigenvalues --    0.61255   0.61645   0.61728   0.62334   0.62727
 Alpha virt. eigenvalues --    0.62973   0.63468   0.63894   0.64370   0.65201
 Alpha virt. eigenvalues --    0.65487   0.66171   0.66529   0.66828   0.67098
 Alpha virt. eigenvalues --    0.67559   0.68079   0.68924   0.69115   0.69650
 Alpha virt. eigenvalues --    0.70236   0.70899   0.71499   0.72525   0.73085
 Alpha virt. eigenvalues --    0.73497   0.73827   0.73988   0.74665   0.74746
 Alpha virt. eigenvalues --    0.75836   0.76299   0.76908   0.77667   0.78520
 Alpha virt. eigenvalues --    0.78830   0.79760   0.80604   0.81461   0.81799
 Alpha virt. eigenvalues --    0.82578   0.82762   0.83288   0.84131   0.84633
 Alpha virt. eigenvalues --    0.85762   0.86392   0.87309   0.87867   0.89235
 Alpha virt. eigenvalues --    0.89794   0.90753   0.91567   0.92667   0.94529
 Alpha virt. eigenvalues --    0.95431   0.95578   0.98152   0.98775   1.00295
 Alpha virt. eigenvalues --    1.00476   1.01439   1.03421   1.04003   1.05187
 Alpha virt. eigenvalues --    1.05433   1.06232   1.06836   1.07530   1.07917
 Alpha virt. eigenvalues --    1.08703   1.09616   1.09978   1.10674   1.11025
 Alpha virt. eigenvalues --    1.11599   1.11925   1.12781   1.13571   1.14590
 Alpha virt. eigenvalues --    1.14811   1.15622   1.15909   1.16616   1.19234
 Alpha virt. eigenvalues --    1.20254   1.21095   1.23275   1.23701   1.24247
 Alpha virt. eigenvalues --    1.24761   1.25795   1.26996   1.27480   1.28609
 Alpha virt. eigenvalues --    1.29467   1.30174   1.31382   1.31521   1.32396
 Alpha virt. eigenvalues --    1.33532   1.35251   1.35687   1.36764   1.37680
 Alpha virt. eigenvalues --    1.39817   1.40457   1.41944   1.42387   1.43606
 Alpha virt. eigenvalues --    1.44290   1.44420   1.45208   1.46175   1.48849
 Alpha virt. eigenvalues --    1.50057   1.51590   1.51682   1.52871   1.55405
 Alpha virt. eigenvalues --    1.55739   1.58140   1.59392   1.61385   1.61553
 Alpha virt. eigenvalues --    1.65036   1.65391   1.67010   1.67991   1.71848
 Alpha virt. eigenvalues --    1.71883   1.74002   1.75146   1.75712   1.76813
 Alpha virt. eigenvalues --    1.78526   1.80643   1.81262   1.82204   1.83560
 Alpha virt. eigenvalues --    1.83651   1.84416   1.84957   1.85579   1.88032
 Alpha virt. eigenvalues --    1.88666   1.89810   1.91476   1.91944   1.92393
 Alpha virt. eigenvalues --    1.93251   1.93722   1.95785   1.96177   1.97201
 Alpha virt. eigenvalues --    1.98774   1.99328   2.00040   2.00936   2.01375
 Alpha virt. eigenvalues --    2.02631   2.02829   2.03527   2.04899   2.06129
 Alpha virt. eigenvalues --    2.07726   2.08816   2.09933   2.10776   2.11308
 Alpha virt. eigenvalues --    2.11543   2.12990   2.14333   2.15136   2.15417
 Alpha virt. eigenvalues --    2.16664   2.17330   2.18249   2.18934   2.19669
 Alpha virt. eigenvalues --    2.20374   2.20898   2.22911   2.24033   2.24726
 Alpha virt. eigenvalues --    2.25344   2.26573   2.27548   2.28277   2.28997
 Alpha virt. eigenvalues --    2.30308   2.31018   2.32658   2.33687   2.34704
 Alpha virt. eigenvalues --    2.35754   2.38047   2.39174   2.40209   2.40743
 Alpha virt. eigenvalues --    2.43274   2.46199   2.48018   2.49086   2.50295
 Alpha virt. eigenvalues --    2.51083   2.51655   2.52499   2.55212   2.55814
 Alpha virt. eigenvalues --    2.56924   2.59027   2.61570   2.63400   2.64353
 Alpha virt. eigenvalues --    2.64856   2.65976   2.68424   2.69765   2.72055
 Alpha virt. eigenvalues --    2.73585   2.74068   2.75177   2.75972   2.76875
 Alpha virt. eigenvalues --    2.77493   2.79444   2.79716   2.81040   2.87864
 Alpha virt. eigenvalues --    2.92543   2.94639   2.95402   2.98202   3.01036
 Alpha virt. eigenvalues --    3.02438   3.03283   3.05022   3.08333   3.09111
 Alpha virt. eigenvalues --    3.10377   3.11217   3.12606   3.14065   3.14660
 Alpha virt. eigenvalues --    3.15340   3.18313   3.21980   3.22559   3.24569
 Alpha virt. eigenvalues --    3.24897   3.26156   3.28258   3.29922   3.31643
 Alpha virt. eigenvalues --    3.32680   3.35299   3.36316   3.43234   3.46439
 Alpha virt. eigenvalues --    3.69700   3.74110   3.88483   4.00779
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    9.952897  -1.447968  -1.620019   0.785955   0.118674  -0.052190
     2  C   -1.447968  13.988312   0.649600  -0.941466   0.726711  -1.847874
     3  C   -1.620019   0.649600  10.756700  -1.418045  -0.110427  -0.133898
     4  C    0.785955  -0.941466  -1.418045  13.603320  -1.925456   0.776338
     5  C    0.118674   0.726711  -0.110427  -1.925456  10.440927  -2.224322
     6  C   -0.052190  -1.847874  -0.133898   0.776338  -2.224322  10.945130
     7  C   -1.023857   0.013397  -0.011568   0.169130   0.039046  -0.915208
     8  C    0.030688   0.026581  -0.000419  -0.001266   0.002363  -0.011295
     9  C   -0.012655  -0.027330  -0.000155  -0.000097  -0.000651  -0.001350
    10  C    0.025121  -0.051677  -0.003833  -0.004294   0.004324  -0.013804
    11  C    0.021578   0.135923  -1.191259   0.268753  -0.787393   0.042754
    12  C    0.006717   0.006243  -0.189196   0.157974  -0.226493   0.002295
    13  O    0.000783   0.000275   0.034321  -0.040293   0.018080   0.006887
    14  O   -0.002125   0.000874   0.018961  -0.001030  -0.001258  -0.002325
    15  H    0.189722  -1.761542  -0.630010  -0.006584   0.193373   0.093579
    16  H   -0.722810  -0.022473   0.289822  -2.179400   0.116926   0.239932
    17  H    0.207184   0.034134  -0.002398  -1.696945   0.462960  -0.424757
    18  H    0.033691  -1.864252   0.258537   0.137383  -0.750843   0.027845
    19  H    0.168403  -0.073788   0.000229  -0.013496  -0.009138   0.007785
    20  H   -0.099126  -0.186763   0.020727   0.004406   0.013253   0.109351
    21  H   -0.038095  -0.001906   0.000294  -0.000504   0.006264  -0.115594
    22  H   -0.003215  -0.002672   0.000064   0.000014  -0.000065  -0.000072
    23  H    0.002460   0.002774  -0.000133  -0.000011   0.000070  -0.001765
    24  H    0.001528   0.007533  -0.000016  -0.000019  -0.000015   0.001126
    25  H   -0.002067  -0.029787   0.001673  -0.000292  -0.000248  -0.000449
    26  H   -0.000759   0.009048  -0.000219  -0.003766   0.002229   0.026366
    27  H   -0.011189   0.010933   0.001304   0.000552   0.000353  -0.008909
    28  H    0.003273   0.000284  -0.155146  -0.359640   0.146121   0.017978
    29  C    0.004323   0.006261  -0.008234   0.005156  -0.079385  -0.004273
    30  H   -0.000102  -0.000391   0.000077  -0.003097  -0.000680   0.000138
    31  H   -0.000485   0.001444  -0.005780  -0.034671  -0.013689   0.002180
    32  H    0.000052  -0.000151  -0.017058  -0.006947  -0.007521  -0.000141
    33  H   -0.003326   0.002518   0.054668  -0.086789   0.011831  -0.002182
               7          8          9         10         11         12
     1  C   -1.023857   0.030688  -0.012655   0.025121   0.021578   0.006717
     2  C    0.013397   0.026581  -0.027330  -0.051677   0.135923   0.006243
     3  C   -0.011568  -0.000419  -0.000155  -0.003833  -1.191259  -0.189196
     4  C    0.169130  -0.001266  -0.000097  -0.004294   0.268753   0.157974
     5  C    0.039046   0.002363  -0.000651   0.004324  -0.787393  -0.226493
     6  C   -0.915208  -0.011295  -0.001350  -0.013804   0.042754   0.002295
     7  C    7.313639   0.105746  -0.006333  -0.065681  -0.001734  -0.000268
     8  C    0.105746   5.893514   0.350506   0.440576  -0.000003   0.000180
     9  C   -0.006333   0.350506   4.415731  -0.048503   0.000001  -0.000004
    10  C   -0.065681   0.440576  -0.048503   4.195105  -0.000114  -0.000084
    11  C   -0.001734  -0.000003   0.000001  -0.000114   7.635924   0.322217
    12  C   -0.000268   0.000180  -0.000004  -0.000084   0.322217   5.136088
    13  O   -0.000020  -0.000046   0.000000   0.000013  -0.177031   0.541049
    14  O    0.000091  -0.000131   0.000001  -0.000065  -0.113172   0.200479
    15  H   -0.352218  -0.000163  -0.004004   0.027272   0.016115   0.004837
    16  H    0.005112  -0.000185   0.000033  -0.000412  -0.519351  -0.105771
    17  H    0.006337   0.002881  -0.000086  -0.000356  -0.335437  -0.058278
    18  H   -0.435350  -0.007818   0.007688  -0.000783  -0.000017   0.008007
    19  H   -0.095660   0.023159  -0.106543   0.020784  -0.000113   0.000102
    20  H    0.054905   0.048792   0.011622  -0.027147   0.000002  -0.000096
    21  H    0.086538   0.098810  -0.069478   0.020534  -0.000003  -0.000037
    22  H   -0.015796  -0.062883   0.440581   0.010310   0.000000  -0.000000
    23  H   -0.002920   0.160445   0.099676  -0.018606   0.000000   0.000000
    24  H    0.008444   0.144407   0.175002  -0.023672  -0.000001   0.000000
    25  H   -0.034982   0.102365  -0.015595   0.198559   0.000007  -0.000009
    26  H   -0.164168   0.135119   0.005037   0.231030  -0.000400   0.000178
    27  H    0.065362   0.091244  -0.007626   0.180704   0.000012  -0.000010
    28  H    0.000060   0.000101  -0.000001  -0.000033   0.138780  -0.159236
    29  C   -0.000105  -0.000016   0.000000  -0.000000   0.389721  -0.004282
    30  H   -0.000004   0.000001   0.000000   0.000005   0.007512   0.117004
    31  H    0.000035   0.000001   0.000000   0.000000   0.078818  -0.016308
    32  H   -0.000004  -0.000001   0.000000  -0.000000   0.154316   0.003821
    33  H    0.000002  -0.000001   0.000000   0.000001   0.095143   0.000376
              13         14         15         16         17         18
     1  C    0.000783  -0.002125   0.189722  -0.722810   0.207184   0.033691
     2  C    0.000275   0.000874  -1.761542  -0.022473   0.034134  -1.864252
     3  C    0.034321   0.018961  -0.630010   0.289822  -0.002398   0.258537
     4  C   -0.040293  -0.001030  -0.006584  -2.179400  -1.696945   0.137383
     5  C    0.018080  -0.001258   0.193373   0.116926   0.462960  -0.750843
     6  C    0.006887  -0.002325   0.093579   0.239932  -0.424757   0.027845
     7  C   -0.000020   0.000091  -0.352218   0.005112   0.006337  -0.435350
     8  C   -0.000046  -0.000131  -0.000163  -0.000185   0.002881  -0.007818
     9  C    0.000000   0.000001  -0.004004   0.000033  -0.000086   0.007688
    10  C    0.000013  -0.000065   0.027272  -0.000412  -0.000356  -0.000783
    11  C   -0.177031  -0.113172   0.016115  -0.519351  -0.335437  -0.000017
    12  C    0.541049   0.200479   0.004837  -0.105771  -0.058278   0.008007
    13  O    7.883150   0.001357  -0.000414   0.012179   0.000967  -0.000827
    14  O    0.001357   8.043942  -0.000602   0.005279  -0.005456  -0.000596
    15  H   -0.000414  -0.000602   3.784557  -1.110594  -0.025034   0.078836
    16  H    0.012179   0.005279  -1.110594   4.241969   0.078336  -0.030585
    17  H    0.000967  -0.005456  -0.025034   0.078336   3.232916  -0.854003
    18  H   -0.000827  -0.000596   0.078836  -0.030585  -0.854003   4.162109
    19  H   -0.000013   0.000006   0.033579  -0.001268  -0.001512  -0.007840
    20  H    0.000011   0.000017  -0.035655   0.000160  -0.000740   0.041503
    21  H   -0.000009   0.000022  -0.011266   0.000576   0.000702  -0.089326
    22  H   -0.000000  -0.000000  -0.000377   0.000000   0.000000   0.002434
    23  H   -0.000000   0.000000   0.000753  -0.000002   0.000002  -0.000756
    24  H    0.000000   0.000000   0.000334  -0.000002  -0.000004   0.000914
    25  H    0.000001  -0.000005  -0.009735   0.000377  -0.000002   0.000009
    26  H   -0.000006   0.000112   0.018409   0.001343  -0.000109   0.004254
    27  H   -0.000000  -0.000012  -0.005256   0.000103   0.000033  -0.000658
    28  H   -0.002561  -0.081823  -0.004376   0.046857   0.032544  -0.001150
    29  C   -0.011774   0.022064   0.001837  -0.044510  -0.007242   0.001985
    30  H   -0.052712   0.162359  -0.000000  -0.000024   0.001079   0.000026
    31  H    0.004157   0.001131   0.000139  -0.001596  -0.003014   0.000209
    32  H   -0.017637   0.000766   0.000057  -0.006267   0.002147  -0.000029
    33  H    0.013346   0.003699  -0.000696   0.021739  -0.006167   0.000264
              19         20         21         22         23         24
     1  C    0.168403  -0.099126  -0.038095  -0.003215   0.002460   0.001528
     2  C   -0.073788  -0.186763  -0.001906  -0.002672   0.002774   0.007533
     3  C    0.000229   0.020727   0.000294   0.000064  -0.000133  -0.000016
     4  C   -0.013496   0.004406  -0.000504   0.000014  -0.000011  -0.000019
     5  C   -0.009138   0.013253   0.006264  -0.000065   0.000070  -0.000015
     6  C    0.007785   0.109351  -0.115594  -0.000072  -0.001765   0.001126
     7  C   -0.095660   0.054905   0.086538  -0.015796  -0.002920   0.008444
     8  C    0.023159   0.048792   0.098810  -0.062883   0.160445   0.144407
     9  C   -0.106543   0.011622  -0.069478   0.440581   0.099676   0.175002
    10  C    0.020784  -0.027147   0.020534   0.010310  -0.018606  -0.023672
    11  C   -0.000113   0.000002  -0.000003   0.000000   0.000000  -0.000001
    12  C    0.000102  -0.000096  -0.000037  -0.000000   0.000000   0.000000
    13  O   -0.000013   0.000011  -0.000009  -0.000000  -0.000000   0.000000
    14  O    0.000006   0.000017   0.000022  -0.000000   0.000000   0.000000
    15  H    0.033579  -0.035655  -0.011266  -0.000377   0.000753   0.000334
    16  H   -0.001268   0.000160   0.000576   0.000000  -0.000002  -0.000002
    17  H   -0.001512  -0.000740   0.000702   0.000000   0.000002  -0.000004
    18  H   -0.007840   0.041503  -0.089326   0.002434  -0.000756   0.000914
    19  H    1.250980  -0.319134   0.077629  -0.049224   0.009508   0.015925
    20  H   -0.319134   1.230472  -0.029347   0.003053  -0.045175  -0.000169
    21  H    0.077629  -0.029347   1.303690  -0.021185   0.003056   0.017801
    22  H   -0.049224   0.003053  -0.021185   0.868334  -0.116548  -0.098201
    23  H    0.009508  -0.045175   0.003056  -0.116548   0.829343  -0.005791
    24  H    0.015925  -0.000169   0.017801  -0.098201  -0.005791   0.817427
    25  H   -0.010796   0.042744  -0.016744  -0.002970   0.010078  -0.012846
    26  H    0.006330  -0.017105  -0.039510  -0.004898   0.002945   0.008852
    27  H   -0.004949  -0.000424   0.041404   0.015708  -0.025726  -0.004446
    28  H    0.000016  -0.000008   0.000001  -0.000000  -0.000000   0.000000
    29  C    0.000008   0.000030   0.000004  -0.000000  -0.000000   0.000000
    30  H   -0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    31  H    0.000007   0.000002   0.000001   0.000000   0.000000   0.000000
    32  H    0.000000  -0.000000  -0.000000   0.000000   0.000000  -0.000000
    33  H    0.000001  -0.000002   0.000000  -0.000000  -0.000000   0.000000
              25         26         27         28         29         30
     1  C   -0.002067  -0.000759  -0.011189   0.003273   0.004323  -0.000102
     2  C   -0.029787   0.009048   0.010933   0.000284   0.006261  -0.000391
     3  C    0.001673  -0.000219   0.001304  -0.155146  -0.008234   0.000077
     4  C   -0.000292  -0.003766   0.000552  -0.359640   0.005156  -0.003097
     5  C   -0.000248   0.002229   0.000353   0.146121  -0.079385  -0.000680
     6  C   -0.000449   0.026366  -0.008909   0.017978  -0.004273   0.000138
     7  C   -0.034982  -0.164168   0.065362   0.000060  -0.000105  -0.000004
     8  C    0.102365   0.135119   0.091244   0.000101  -0.000016   0.000001
     9  C   -0.015595   0.005037  -0.007626  -0.000001   0.000000   0.000000
    10  C    0.198559   0.231030   0.180704  -0.000033  -0.000000   0.000005
    11  C    0.000007  -0.000400   0.000012   0.138780   0.389721   0.007512
    12  C   -0.000009   0.000178  -0.000010  -0.159236  -0.004282   0.117004
    13  O    0.000001  -0.000006  -0.000000  -0.002561  -0.011774  -0.052712
    14  O   -0.000005   0.000112  -0.000012  -0.081823   0.022064   0.162359
    15  H   -0.009735   0.018409  -0.005256  -0.004376   0.001837  -0.000000
    16  H    0.000377   0.001343   0.000103   0.046857  -0.044510  -0.000024
    17  H   -0.000002  -0.000109   0.000033   0.032544  -0.007242   0.001079
    18  H    0.000009   0.004254  -0.000658  -0.001150   0.001985   0.000026
    19  H   -0.010796   0.006330  -0.004949   0.000016   0.000008  -0.000000
    20  H    0.042744  -0.017105  -0.000424  -0.000008   0.000030  -0.000000
    21  H   -0.016744  -0.039510   0.041404   0.000001   0.000004  -0.000000
    22  H   -0.002970  -0.004898   0.015708  -0.000000  -0.000000   0.000000
    23  H    0.010078   0.002945  -0.025726  -0.000000  -0.000000   0.000000
    24  H   -0.012846   0.008852  -0.004446   0.000000   0.000000  -0.000000
    25  H    0.775335   0.002919  -0.089034  -0.000002  -0.000000   0.000000
    26  H    0.002919   1.044385  -0.228143  -0.000019   0.000001  -0.000007
    27  H   -0.089034  -0.228143   1.055164  -0.000001  -0.000000   0.000000
    28  H   -0.000002  -0.000019  -0.000001   1.475327  -0.239133  -0.007441
    29  C   -0.000000   0.000001  -0.000000  -0.239133   4.346230   0.002999
    30  H    0.000000  -0.000007   0.000000  -0.007441   0.002999   0.540203
    31  H    0.000000  -0.000001   0.000000  -0.008845   0.306237  -0.000077
    32  H    0.000000   0.000000   0.000000  -0.003877   0.228810   0.000462
    33  H    0.000000   0.000001  -0.000000   0.017436   0.182882  -0.000404
              31         32         33
     1  C   -0.000485   0.000052  -0.003326
     2  C    0.001444  -0.000151   0.002518
     3  C   -0.005780  -0.017058   0.054668
     4  C   -0.034671  -0.006947  -0.086789
     5  C   -0.013689  -0.007521   0.011831
     6  C    0.002180  -0.000141  -0.002182
     7  C    0.000035  -0.000004   0.000002
     8  C    0.000001  -0.000001  -0.000001
     9  C    0.000000   0.000000   0.000000
    10  C    0.000000  -0.000000   0.000001
    11  C    0.078818   0.154316   0.095143
    12  C   -0.016308   0.003821   0.000376
    13  O    0.004157  -0.017637   0.013346
    14  O    0.001131   0.000766   0.003699
    15  H    0.000139   0.000057  -0.000696
    16  H   -0.001596  -0.006267   0.021739
    17  H   -0.003014   0.002147  -0.006167
    18  H    0.000209  -0.000029   0.000264
    19  H    0.000007   0.000000   0.000001
    20  H    0.000002  -0.000000  -0.000002
    21  H    0.000001  -0.000000   0.000000
    22  H    0.000000   0.000000  -0.000000
    23  H    0.000000   0.000000  -0.000000
    24  H    0.000000  -0.000000   0.000000
    25  H    0.000000   0.000000   0.000000
    26  H   -0.000001   0.000000   0.000001
    27  H    0.000000   0.000000  -0.000000
    28  H   -0.008845  -0.003877   0.017436
    29  C    0.306237   0.228810   0.182882
    30  H   -0.000077   0.000462  -0.000404
    31  H    0.682923  -0.015168  -0.014174
    32  H   -0.015168   0.668390  -0.090826
    33  H   -0.014174  -0.090826   0.784089
 Mulliken charges:
               1
     1  C   -0.513061
     2  C   -1.362804
     3  C   -0.589166
     4  C   -1.184873
     5  C   -0.165922
     6  C   -0.539277
     7  C    1.258033
     8  C   -1.573252
     9  C    0.794528
    10  C    0.904724
    11  C   -0.181550
    12  C    0.252502
    13  O   -0.213234
    14  O   -0.252562
    15  H    0.515129
    16  H    0.684506
    17  H    0.359321
    18  H    0.279139
    19  H    0.079026
    20  H    0.179844
    21  H   -0.224324
    22  H    0.037609
    23  H    0.096324
    24  H   -0.054111
    25  H    0.091496
    26  H   -0.039449
    27  H   -0.076489
    28  H    0.144512
    29  C    0.900409
    30  H    0.233076
    31  H    0.036521
    32  H    0.106805
    33  H    0.016571
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.002068
     2  C   -1.362804
     3  C    0.095340
     4  C   -1.184873
     5  C    0.193399
     6  C   -0.260138
     7  C    1.516903
     8  C   -1.797575
     9  C    0.874350
    10  C    0.880282
    11  C   -0.037038
    12  C    0.252502
    13  O   -0.213234
    14  O   -0.019486
    29  C    1.060305
 Electronic spatial extent (au):  <R**2>=           4601.1047
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              1.0830    Y=             -0.1001    Z=              1.2814  Tot=              1.6807
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -90.6397   YY=            -89.2043   ZZ=            -91.7795
   XY=             -0.0965   XZ=             -6.8973   YZ=             -0.1988
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.0985   YY=              1.3368   ZZ=             -1.2384
   XY=             -0.0965   XZ=             -6.8973   YZ=             -0.1988
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -12.6969  YYY=             40.6970  ZZZ=              4.6025  XYY=            -27.0249
  XXY=              2.5448  XXZ=             26.4385  XZZ=              9.4447  YZZ=             -7.3005
  YYZ=             -2.7035  XYZ=             -4.5621
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -5018.2350 YYYY=           -641.4822 ZZZZ=           -517.4292 XXXY=            -31.5398
 XXXZ=           -101.9908 YYYX=           -110.2052 YYYZ=             -2.4088 ZZZX=            -14.0929
 ZZZY=              0.3748 XXYY=           -865.9163 XXZZ=           -965.8135 YYZZ=           -223.0195
 XXYZ=             11.5300 YYXZ=             -4.1851 ZZXY=              6.5202
 N-N= 9.729962246704D+02 E-N=-3.467572190911D+03  KE= 6.480789220208D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Wed Sep  8 14:35:44 2021, MaxMem=  6442450944 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 4.03530702D-01-1.96657508D-03 4.77743365D-01
 Polarizability= 2.06967458D+02-4.63355540D-01 1.26884029D+02
                 2.01431848D-01-5.06064516D-02 1.45142815D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.2935   -0.3034       -0.1951   -0.1969
 2      0.2935    0.3034        0.0897    0.0940      -41.7593  -41.7550
 3      0.1951    0.1969       31.9669   31.9512       -0.0941   -0.0940
 4     -0.0897   -0.0940       -0.0000    0.0000        0.1949    0.1969
 5      9.7924    9.8038       -0.1949   -0.1969       -0.3038   -0.3034
 6      0.0941    0.0940        0.3038    0.3034       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.9101    0.9101       -0.5907   -0.5907
 2     -0.2821   -0.2821       -0.0000    0.0000       -0.5907   -0.5907
 3     -0.2821   -0.2821        0.9101    0.9101       -0.0000    0.0000
 4      0.9101    0.9101        0.2821    0.2821     -125.2649 -125.2649
 5      0.5907    0.5907       95.8536   95.8536       -0.2821   -0.2821
 6     29.4113   29.4113       -0.5907   -0.5907       -0.9101   -0.9101
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.3270    0.0000        0.4122    1.2135        1.1489    0.7876
 2     -0.9009   -1.2135       -0.0453   -0.3761      166.4084  167.0199
 3     -0.4956   -0.7876     -128.5651 -127.8048       -0.0335    0.3761
 4      0.2803    0.3761        0.1194    0.0000       -0.6661   -0.7876
 5    -39.3453  -39.2151        0.8693    0.7876        0.7548    1.2135
 6     -0.0319   -0.3761       -0.7679   -1.2135       -0.0801    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.4391    0.0000      -74.6002  -73.8684       45.3685   44.8070
 2     73.6884   73.8684        7.2899    7.3016      -23.9950  -22.2536
 3    -44.7104  -44.8070       10.5447   10.2449       -7.0947   -7.3016
 4     -7.3720   -7.3016        0.3704    0.0000      -44.7328  -44.8070
 5     14.2409   12.0086       44.6824   44.8070      -73.3483  -73.8684
 6      7.3618    7.3016       74.1050   73.8684       -0.4685    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -18.0836  -17.3113       -8.9644   -8.7596      -55.6276  -56.8027
 2    -26.4004  -25.8593      -66.9616  -67.1260      -55.2344  -56.8027
 3    -26.7230  -25.8593       -8.3220   -8.7596     -105.0720 -106.6134
 4     58.0269   58.3664        8.1297    8.5481      -13.5253  -12.9391
 5    -49.2374  -49.8107        7.7198    6.8682       -8.5848   -8.5481
 6     10.2530    6.0709       49.5445   49.8107      -56.7296  -58.3664
 Full mass-weighted force constant matrix:
 Low frequencies ---   -2.3361   -0.0008   -0.0008   -0.0007    2.5083    3.8064
 Low frequencies ---   25.4144   35.9025   46.6889
 Diagonal vibrational polarizability:
       45.5261352      24.1615779       6.1822011
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     25.4009                35.8993                46.6858
 Red. masses --      3.4921                 6.1249                 4.4143
 Frc consts  --      0.0013                 0.0047                 0.0057
 IR Inten    --      0.2749                 0.9499                 0.7728
 RamAct Fr= 1--      0.2499                 0.8153                 1.5565
  Dep-P Fr= 1--      0.7328                 0.7066                 0.7497
  Dep-U Fr= 1--      0.8458                 0.8281                 0.8569
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.0000
 Beta2  Fr= 1--      0.0352                 0.1125                 0.2223
 AlphaG Fr= 1--      0.0003                 0.0033                -0.0005
 Gamma2 Fr= 1--     -0.5464                -0.0242                 0.5253
 Delta2 Fr= 1--     -0.5346                 0.2995                 0.0404
 Raman1 Fr= 1--       0.999                  3.261                  6.226
 ROA1   Fr= 1--     -69.562                  7.258                 51.727
 CID1   Fr= 1--     -69.601                  2.225                  8.308
 Raman2 Fr= 1--       0.423                  1.350                  2.668
 ROA2   Fr= 1--      -8.837                 -2.977                 12.285
 CID2   Fr= 1--     -20.907                 -2.205                  4.605
 Raman3 Fr= 1--       0.845                  2.701                  5.335
 ROA3   Fr= 1--     -69.562                  7.258                 51.727
 CID3   Fr= 1--     -82.289                  2.688                  9.695
 RC180  Fr= 1--       0.692                  0.656                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.03  -0.05    -0.00  -0.05  -0.01     0.02   0.06  -0.02
     2   6    -0.00   0.02  -0.06    -0.01  -0.07  -0.02    -0.00  -0.06  -0.03
     3   6     0.03  -0.01  -0.01    -0.00  -0.06  -0.01     0.03   0.07  -0.00
     4   6     0.01   0.05   0.01    -0.01  -0.08  -0.01     0.00  -0.04   0.00
     5   6    -0.02   0.10  -0.00    -0.01  -0.12  -0.01    -0.03  -0.18  -0.02
     6   6    -0.02   0.08  -0.04    -0.01  -0.11  -0.02    -0.03  -0.19  -0.03
     7   6    -0.01  -0.00  -0.10    -0.00   0.01  -0.02    -0.00  -0.00  -0.06
     8   6     0.02   0.02   0.06    -0.08   0.06   0.02    -0.07   0.06   0.04
     9   6     0.01   0.01  -0.02    -0.06   0.17   0.06    -0.08   0.14  -0.09
    10   6     0.10  -0.12   0.21    -0.18   0.03   0.04    -0.03  -0.07   0.16
    11   6     0.01   0.04   0.05     0.00  -0.00  -0.00     0.01   0.02   0.03
    12   6    -0.04  -0.02  -0.04     0.08   0.03  -0.00     0.08   0.03  -0.01
    13   8    -0.11  -0.13  -0.03    -0.14   0.01   0.07     0.27   0.05  -0.07
    14   8    -0.00   0.06  -0.14     0.45   0.07  -0.10    -0.10   0.01   0.04
    15   1     0.04  -0.08  -0.07     0.01  -0.03  -0.02     0.04   0.15  -0.02
    16   1     0.05  -0.05  -0.00     0.01  -0.03  -0.01     0.05   0.17   0.01
    17   1    -0.04   0.14   0.02    -0.02  -0.14  -0.01    -0.05  -0.27  -0.01
    18   1    -0.04   0.12  -0.05    -0.02  -0.13  -0.02    -0.05  -0.29  -0.04
    19   1    -0.04   0.09  -0.19     0.04   0.05  -0.04     0.01   0.08  -0.13
    20   1    -0.00  -0.13  -0.16     0.02   0.01  -0.03     0.03  -0.06  -0.10
    21   1     0.00   0.16   0.13    -0.09   0.05   0.02    -0.15   0.14   0.11
    22   1    -0.04   0.12  -0.13     0.00   0.19   0.05    -0.11   0.24  -0.18
    23   1     0.03  -0.13  -0.10    -0.06   0.19   0.06    -0.00   0.06  -0.17
    24   1     0.03   0.03   0.09    -0.12   0.20   0.08    -0.13   0.19  -0.02
    25   1     0.12  -0.27   0.14    -0.18   0.04   0.04     0.05  -0.15   0.09
    26   1     0.11  -0.11   0.27    -0.19  -0.03   0.01    -0.02  -0.12   0.25
    27   1     0.12  -0.11   0.32    -0.22   0.06   0.06    -0.07  -0.03   0.22
    28   1     0.04   0.12   0.05     0.01   0.02  -0.00     0.03   0.06   0.03
    29   6     0.02  -0.03   0.17    -0.07   0.04   0.01    -0.06   0.05   0.06
    30   1    -0.04   0.01  -0.20     0.48   0.08  -0.10    -0.04   0.02   0.01
    31   1    -0.00  -0.11   0.17    -0.08   0.00   0.02    -0.10   0.02   0.06
    32   1     0.02  -0.04   0.19    -0.07   0.11   0.01    -0.06   0.10   0.09
    33   1     0.05   0.02   0.24    -0.14   0.02   0.03    -0.10   0.04   0.07
                      4                      5                      6
                      A                      A                      A
 Frequencies --     53.2514                63.8777               113.7648
 Red. masses --      3.7305                 3.2120                 4.4565
 Frc consts  --      0.0062                 0.0077                 0.0340
 IR Inten    --      0.4958                 0.0398                 0.0880
 RamAct Fr= 1--      3.0234                 1.8706                 2.2868
  Dep-P Fr= 1--      0.7382                 0.7423                 0.7323
  Dep-U Fr= 1--      0.8494                 0.8521                 0.8455
 Alpha2 Fr= 1--      0.0006                 0.0002                 0.0007
 Beta2  Fr= 1--      0.4280                 0.2656                 0.3222
 AlphaG Fr= 1--      0.0004                 0.0003                -0.0023
 Gamma2 Fr= 1--      0.6372                -0.7025                 1.2436
 Delta2 Fr= 1--      0.8209                -0.4296                 0.6428
 Raman1 Fr= 1--      12.093                  7.482                  9.147
 ROA1   Fr= 1--      87.440                -81.189                139.958
 CID1   Fr= 1--       7.230                -10.851                 15.301
 Raman2 Fr= 1--       5.136                  3.188                  3.867
 ROA2   Fr= 1--       8.726                -13.423                 24.705
 CID2   Fr= 1--       1.699                 -4.211                  6.389
 Raman3 Fr= 1--      10.272                  6.375                  7.734
 ROA3   Fr= 1--      87.440                -81.189                139.958
 CID3   Fr= 1--       8.512                -12.735                 18.097
 RC180  Fr= 1--       0.699                  0.704                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.19   0.03     0.05   0.12  -0.08    -0.04   0.06  -0.03
     2   6    -0.01   0.06   0.03     0.01   0.01  -0.10    -0.06   0.15  -0.04
     3   6    -0.03   0.16  -0.00     0.05   0.13  -0.05    -0.05  -0.07  -0.00
     4   6    -0.02  -0.01  -0.03     0.01   0.02  -0.04    -0.08  -0.11   0.01
     5   6    -0.01  -0.11  -0.02    -0.02  -0.07  -0.06    -0.10  -0.02   0.00
     6   6    -0.00  -0.08   0.01    -0.03  -0.08  -0.09    -0.09   0.12  -0.02
     7   6    -0.01   0.03   0.04     0.01  -0.02  -0.11    -0.06   0.13  -0.05
     8   6     0.03   0.01   0.04     0.06  -0.02   0.01     0.07   0.07  -0.01
     9   6    -0.00  -0.06  -0.11     0.10  -0.04   0.24     0.06  -0.11   0.07
    10   6     0.19  -0.03   0.11    -0.09  -0.02  -0.02     0.14   0.09  -0.01
    11   6    -0.03  -0.06  -0.06     0.02   0.01   0.02    -0.08  -0.08   0.04
    12   6    -0.05  -0.03   0.02    -0.03  -0.00   0.04     0.07  -0.05   0.00
    13   8    -0.16   0.02   0.06    -0.07   0.00   0.06     0.19  -0.03  -0.04
    14   8     0.08  -0.05   0.04    -0.05  -0.01   0.06     0.12  -0.06  -0.00
    15   1    -0.03   0.30   0.05     0.07   0.19  -0.09    -0.02   0.07  -0.05
    16   1    -0.04   0.25  -0.00     0.08   0.21  -0.03    -0.04  -0.13   0.00
    17   1    -0.00  -0.22  -0.04    -0.05  -0.15  -0.05    -0.13  -0.03   0.02
    18   1     0.01  -0.17   0.01    -0.06  -0.16  -0.11    -0.11   0.18  -0.03
    19   1    -0.03   0.03   0.04    -0.00   0.04  -0.16    -0.10   0.13  -0.06
    20   1    -0.02   0.02   0.04    -0.02  -0.10  -0.13    -0.09   0.07  -0.06
    21   1    -0.03   0.08   0.10     0.20  -0.00  -0.06     0.16   0.12  -0.03
    22   1    -0.12  -0.01  -0.18     0.22  -0.06   0.28     0.03  -0.12   0.08
    23   1     0.05  -0.15  -0.19    -0.05  -0.03   0.33    -0.04  -0.18   0.10
    24   1     0.03  -0.07  -0.09     0.15  -0.05   0.30     0.20  -0.17   0.12
    25   1     0.29  -0.09   0.04    -0.27  -0.05   0.06     0.06   0.03   0.00
    26   1     0.22   0.00   0.24    -0.11   0.04  -0.20     0.15   0.20  -0.06
    27   1     0.20  -0.04   0.10     0.01  -0.04   0.07     0.25   0.03   0.01
    28   1    -0.06  -0.13  -0.06     0.06  -0.00   0.03    -0.06  -0.05   0.04
    29   6     0.01  -0.03  -0.15     0.01  -0.00   0.05    -0.18  -0.04   0.07
    30   1     0.06  -0.03   0.09    -0.09  -0.01   0.07     0.26  -0.03  -0.03
    31   1     0.02   0.04  -0.15    -0.05   0.00   0.04    -0.19  -0.08   0.07
    32   1     0.01  -0.06  -0.16     0.01  -0.02   0.10    -0.17   0.06   0.07
    33   1     0.02  -0.06  -0.20     0.05  -0.00   0.03    -0.26  -0.06   0.09
                      7                      8                      9
                      A                      A                      A
 Frequencies --    152.6235               208.2750               224.7085
 Red. masses --      3.8044                 2.3701                 1.2073
 Frc consts  --      0.0522                 0.0606                 0.0359
 IR Inten    --      0.0890                 0.5985                 0.4957
 RamAct Fr= 1--      0.7931                 0.3202                 0.0593
  Dep-P Fr= 1--      0.1364                 0.1672                 0.5724
  Dep-U Fr= 1--      0.2401                 0.2866                 0.7281
 Alpha2 Fr= 1--      0.0127                 0.0047                 0.0002
 Beta2  Fr= 1--      0.0317                 0.0153                 0.0072
 AlphaG Fr= 1--      0.0034                -0.0054                -0.0005
 Gamma2 Fr= 1--     -0.0053                -0.3054                 0.0956
 Delta2 Fr= 1--     -0.0642                -0.0178                 0.0581
 Raman1 Fr= 1--       3.172                  1.281                  0.237
 ROA1   Fr= 1--      -2.559                -29.882                 11.040
 CID1   Fr= 1--      -0.807                -23.332                 46.510
 Raman2 Fr= 1--       0.381                  0.184                  0.086
 ROA2   Fr= 1--       0.387                 -7.186                  1.830
 CID2   Fr= 1--       1.017                -39.161                 21.179
 Raman3 Fr= 1--       0.762                  0.367                  0.173
 ROA3   Fr= 1--      -2.559                -29.882                 11.040
 CID3   Fr= 1--      -3.360                -81.418                 63.882
 RC180  Fr= 1--      -0.520                 -0.427                  0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.10   0.03    -0.04   0.05  -0.02    -0.01   0.03  -0.01
     2   6    -0.05   0.03  -0.00    -0.01   0.01  -0.00     0.01   0.01   0.00
     3   6     0.02   0.13   0.09    -0.04   0.07  -0.08    -0.01   0.03  -0.02
     4   6    -0.01   0.08   0.10     0.01   0.04  -0.11     0.00   0.00  -0.03
     5   6    -0.06   0.11   0.08     0.04   0.07  -0.09     0.02   0.02  -0.03
     6   6    -0.07   0.09   0.03     0.04   0.06  -0.04     0.02   0.03  -0.01
     7   6    -0.08  -0.05  -0.10    -0.01  -0.04   0.09     0.00  -0.02   0.02
     8   6    -0.07  -0.04  -0.04    -0.04  -0.04   0.04    -0.00  -0.02   0.01
     9   6    -0.07  -0.03  -0.00    -0.05  -0.02  -0.01    -0.00   0.01  -0.02
    10   6    -0.13  -0.10   0.00    -0.04  -0.02   0.01    -0.02  -0.03   0.01
    11   6    -0.01  -0.04   0.03     0.02  -0.02  -0.03     0.00  -0.01  -0.02
    12   6     0.05  -0.04   0.00     0.01  -0.02  -0.00     0.00  -0.01  -0.01
    13   8     0.13  -0.04  -0.02     0.05   0.04  -0.01    -0.00   0.03  -0.00
    14   8     0.10  -0.04  -0.01     0.06  -0.07   0.05     0.01  -0.04   0.03
    15   1     0.05   0.10   0.00    -0.07   0.06  -0.00    -0.02   0.04   0.00
    16   1     0.05   0.14   0.10    -0.08   0.09  -0.10    -0.02   0.04  -0.03
    17   1    -0.10   0.12   0.11     0.06   0.09  -0.11     0.03   0.03  -0.03
    18   1    -0.10   0.08   0.01     0.09   0.06  -0.02     0.04   0.04  -0.00
    19   1    -0.16   0.00  -0.17     0.03  -0.09   0.16     0.00  -0.03   0.03
    20   1    -0.03  -0.13  -0.16    -0.07   0.03   0.15    -0.01  -0.01   0.03
    21   1    -0.05  -0.01  -0.03    -0.08  -0.08   0.04    -0.02  -0.03   0.01
    22   1    -0.05  -0.01  -0.02    -0.07  -0.04   0.00     0.00  -0.10   0.09
    23   1    -0.09  -0.05  -0.00    -0.00   0.03  -0.02     0.06   0.18   0.03
    24   1    -0.07  -0.02   0.03    -0.08  -0.01  -0.07    -0.07   0.00  -0.18
    25   1    -0.24  -0.18   0.03     0.07   0.06  -0.01    -0.08  -0.06   0.02
    26   1    -0.14  -0.05  -0.09    -0.05  -0.11   0.09    -0.02   0.01  -0.04
    27   1    -0.05  -0.11   0.11    -0.15   0.02  -0.06     0.03  -0.04   0.05
    28   1    -0.12  -0.10   0.01     0.11   0.02  -0.01     0.02   0.02  -0.02
    29   6     0.18  -0.08  -0.12     0.00  -0.09   0.14    -0.02  -0.03   0.05
    30   1     0.20  -0.02  -0.04     0.13  -0.02   0.08     0.01  -0.02   0.06
    31   1     0.32  -0.00  -0.10    -0.37   0.01   0.07     0.36  -0.39   0.13
    32   1     0.15  -0.22  -0.25     0.04  -0.29   0.54    -0.06   0.24  -0.38
    33   1     0.23  -0.07  -0.13     0.32  -0.06  -0.04    -0.38   0.04   0.45
                     10                     11                     12
                      A                      A                      A
 Frequencies --    226.3691               249.3045               251.4715
 Red. masses --      1.0858                 2.2589                 1.2286
 Frc consts  --      0.0328                 0.0827                 0.0458
 IR Inten    --      0.0944                 0.3138                 0.0769
 RamAct Fr= 1--      0.1502                 1.8842                 0.1661
  Dep-P Fr= 1--      0.6928                 0.5025                 0.4300
  Dep-U Fr= 1--      0.8185                 0.6689                 0.6014
 Alpha2 Fr= 1--      0.0002                 0.0092                 0.0011
 Beta2  Fr= 1--      0.0205                 0.2100                 0.0166
 AlphaG Fr= 1--     -0.0015                 0.0104                 0.0081
 Gamma2 Fr= 1--     -0.1660                 0.1850                -0.2939
 Delta2 Fr= 1--     -0.0683                -0.0461                 0.0017
 Raman1 Fr= 1--       0.601                  7.537                  0.664
 ROA1   Fr= 1--     -18.125                 16.286                -28.163
 CID1   Fr= 1--     -30.168                  2.161                -42.396
 Raman2 Fr= 1--       0.246                  2.521                  0.200
 ROA2   Fr= 1--      -3.439                  4.809                 -7.068
 CID2   Fr= 1--     -13.986                  1.908                -35.383
 Raman3 Fr= 1--       0.492                  5.041                  0.399
 ROA3   Fr= 1--     -18.125                 16.286                -28.163
 CID3   Fr= 1--     -36.858                  3.231                -70.497
 RC180  Fr= 1--       0.637                  0.338                  0.203
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.01    -0.03  -0.08  -0.02    -0.01  -0.02  -0.03
     2   6     0.01   0.01   0.01    -0.04  -0.03  -0.02    -0.02  -0.02  -0.04
     3   6    -0.00  -0.01   0.01    -0.02  -0.05  -0.01    -0.00  -0.01   0.00
     4   6    -0.00  -0.01   0.00     0.00   0.03  -0.01    -0.01   0.02   0.02
     5   6     0.00  -0.00   0.01    -0.02  -0.05  -0.03    -0.04  -0.01   0.00
     6   6     0.01   0.01   0.01    -0.03  -0.09  -0.03    -0.04  -0.03  -0.03
     7   6     0.01  -0.01  -0.01    -0.04   0.07   0.02    -0.02   0.00  -0.02
     8   6     0.01  -0.01  -0.00    -0.04   0.07   0.03     0.00   0.00   0.02
     9   6     0.01   0.03  -0.03    -0.07  -0.07   0.00     0.01   0.01   0.04
    10   6     0.01  -0.03   0.02     0.05   0.10   0.02     0.05   0.02   0.01
    11   6    -0.01  -0.01   0.00     0.02   0.04  -0.01    -0.01   0.01   0.02
    12   6    -0.00  -0.00  -0.00    -0.00   0.04  -0.01    -0.00   0.01   0.01
    13   8    -0.00  -0.01  -0.00    -0.00   0.08  -0.01     0.01   0.00   0.00
    14   8    -0.00   0.00  -0.01     0.01   0.02   0.01     0.00   0.02  -0.00
    15   1    -0.00   0.01   0.01    -0.02  -0.11  -0.03     0.01  -0.04  -0.04
    16   1    -0.00  -0.01   0.01    -0.03  -0.06  -0.02     0.02  -0.01   0.01
    17   1     0.01  -0.00   0.00    -0.03  -0.05  -0.02    -0.06  -0.01   0.02
    18   1     0.01   0.01   0.01    -0.02  -0.12  -0.03    -0.07  -0.04  -0.04
    19   1    -0.02   0.00  -0.02     0.02   0.08   0.02    -0.00   0.03  -0.03
    20   1     0.02  -0.03  -0.02    -0.04   0.09   0.02    -0.04  -0.03  -0.02
    21   1     0.00   0.00   0.00    -0.03   0.09   0.03     0.00   0.01   0.02
    22   1     0.03  -0.27   0.24    -0.17  -0.11   0.02     0.04  -0.28   0.29
    23   1     0.12   0.44   0.09    -0.10  -0.11   0.00     0.06   0.37   0.17
    24   1    -0.11  -0.02  -0.43     0.03  -0.13  -0.03    -0.07  -0.05  -0.31
    25   1    -0.27  -0.20   0.08    -0.25  -0.06   0.10     0.42   0.20  -0.09
    26   1     0.01   0.19  -0.19     0.07   0.43  -0.19     0.06  -0.22   0.31
    27   1     0.28  -0.12   0.19     0.40  -0.04   0.14    -0.25   0.12  -0.19
    28   1    -0.00  -0.01   0.00     0.02   0.06  -0.01    -0.03  -0.00   0.01
    29   6    -0.03   0.02  -0.01     0.17  -0.07   0.05     0.05  -0.02  -0.01
    30   1    -0.01  -0.00  -0.02     0.01   0.03   0.03     0.02   0.01  -0.02
    31   1    -0.19   0.14  -0.05     0.26  -0.17   0.07     0.10  -0.01  -0.00
    32   1    -0.02  -0.04   0.15     0.15  -0.20  -0.03     0.04  -0.07  -0.05
    33   1     0.07  -0.02  -0.16     0.26   0.02   0.17     0.08   0.00   0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    289.0495               322.6360               354.2302
 Red. masses --      3.7526                 2.6800                 3.3376
 Frc consts  --      0.1847                 0.1644                 0.2468
 IR Inten    --      1.5181                 0.2158                 1.2678
 RamAct Fr= 1--      1.8203                 0.4408                 2.1349
  Dep-P Fr= 1--      0.1153                 0.5186                 0.5924
  Dep-U Fr= 1--      0.2068                 0.6830                 0.7441
 Alpha2 Fr= 1--      0.0307                 0.0020                 0.0063
 Beta2  Fr= 1--      0.0627                 0.0502                 0.2647
 AlphaG Fr= 1--      0.0074                -0.0052                -0.0091
 Gamma2 Fr= 1--     -0.1494                -0.0936                 0.2097
 Delta2 Fr= 1--     -0.1901                -0.0697                 0.0164
 Raman1 Fr= 1--       7.281                  1.763                  8.539
 ROA1   Fr= 1--     -20.424                -11.221                 20.659
 CID1   Fr= 1--      -2.805                 -6.364                  2.419
 Raman2 Fr= 1--       0.753                  0.602                  3.177
 ROA2   Fr= 1--      -2.064                 -1.690                  4.902
 CID2   Fr= 1--      -2.741                 -2.806                  1.543
 Raman3 Fr= 1--       1.506                  1.204                  6.354
 ROA3   Fr= 1--     -20.424                -11.221                 20.659
 CID3   Fr= 1--     -13.563                 -9.317                  3.251
 RC180  Fr= 1--      -0.586                  0.366                  0.488
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.06    -0.06  -0.03  -0.07    -0.03   0.07  -0.00
     2   6     0.01   0.00   0.06    -0.04  -0.05  -0.06    -0.01   0.19   0.01
     3   6    -0.05  -0.02   0.05    -0.05   0.04  -0.04    -0.04  -0.12  -0.03
     4   6    -0.07   0.00   0.05    -0.06   0.06  -0.02    -0.01  -0.12  -0.03
     5   6    -0.04  -0.03   0.08    -0.07   0.04  -0.03    -0.03  -0.15  -0.04
     6   6    -0.03  -0.03   0.08    -0.06  -0.03  -0.06    -0.00   0.08  -0.01
     7   6     0.03  -0.03  -0.08     0.02  -0.06   0.12    -0.01   0.08   0.08
     8   6     0.10  -0.03  -0.07     0.05  -0.08   0.03     0.06  -0.01  -0.05
     9   6     0.15   0.14   0.00     0.09   0.14  -0.01     0.07  -0.02  -0.05
    10   6     0.05  -0.07  -0.05     0.08  -0.00  -0.04    -0.11  -0.14   0.02
    11   6    -0.09   0.01  -0.07    -0.06  -0.00   0.07     0.02   0.02   0.03
    12   6    -0.06   0.04  -0.10    -0.02  -0.01   0.08     0.02   0.05   0.05
    13   8    -0.05   0.21  -0.09     0.07  -0.09   0.04     0.01   0.00   0.05
    14   8     0.01  -0.05   0.01     0.01   0.06  -0.00    -0.03   0.13  -0.02
    15   1    -0.06  -0.03   0.07    -0.07  -0.04  -0.07    -0.03   0.08  -0.00
    16   1    -0.04  -0.04   0.06    -0.02   0.05  -0.03    -0.07  -0.18  -0.04
    17   1    -0.02  -0.05   0.06    -0.07   0.07  -0.02    -0.03  -0.25  -0.05
    18   1    -0.05  -0.04   0.07    -0.10  -0.05  -0.07     0.02   0.11  -0.01
    19   1    -0.08  -0.01  -0.13     0.14  -0.19   0.27    -0.02  -0.10   0.23
    20   1     0.10  -0.09  -0.13    -0.14   0.08   0.25    -0.10   0.23   0.18
    21   1     0.12  -0.02  -0.08     0.01  -0.14   0.02     0.07  -0.02  -0.06
    22   1     0.32   0.28  -0.08     0.22   0.33  -0.14     0.04  -0.04  -0.04
    23   1     0.14   0.11  -0.01     0.17   0.08  -0.08     0.09  -0.01  -0.06
    24   1     0.03   0.25   0.16    -0.09   0.28   0.16     0.07  -0.03  -0.09
    25   1     0.06  -0.09  -0.06    -0.07  -0.03   0.02    -0.10  -0.18  -0.01
    26   1     0.04  -0.13  -0.04     0.09   0.18  -0.15    -0.16  -0.38  -0.01
    27   1     0.01  -0.05  -0.01     0.27  -0.09  -0.04    -0.29  -0.01   0.17
    28   1    -0.16   0.10  -0.09    -0.03  -0.07   0.08     0.05  -0.01   0.04
    29   6     0.02  -0.14   0.08     0.03  -0.01  -0.03     0.12  -0.02   0.01
    30   1     0.10   0.02   0.09     0.11   0.03  -0.09    -0.09   0.06  -0.11
    31   1    -0.06  -0.23   0.06     0.15   0.04  -0.01     0.19  -0.01   0.02
    32   1     0.02  -0.31   0.17     0.01  -0.06  -0.15     0.10  -0.15  -0.06
    33   1     0.21  -0.04   0.14     0.02  -0.01  -0.03     0.21   0.02   0.03
                     16                     17                     18
                      A                      A                      A
 Frequencies --    384.3972               411.2754               419.7059
 Red. masses --      2.9772                 2.6923                 2.6777
 Frc consts  --      0.2592                 0.2683                 0.2779
 IR Inten    --      0.3760                 0.3163                 0.2616
 RamAct Fr= 1--      0.5802                 4.2533                 0.5358
  Dep-P Fr= 1--      0.0996                 0.1238                 0.0818
  Dep-U Fr= 1--      0.1812                 0.2204                 0.1513
 Alpha2 Fr= 1--      0.0102                 0.0702                 0.0098
 Beta2  Fr= 1--      0.0175                 0.1562                 0.0135
 AlphaG Fr= 1--      0.0096                 0.0655                -0.0496
 Gamma2 Fr= 1--      0.2595                 1.3633                -0.4343
 Delta2 Fr= 1--      0.0082                -0.1102                -0.1043
 Raman1 Fr= 1--       2.321                 17.013                  2.143
 ROA1   Fr= 1--      25.179                127.352                -45.030
 CID1   Fr= 1--      10.850                  7.486                -21.012
 Raman2 Fr= 1--       0.210                  1.875                  0.162
 ROA2   Fr= 1--       6.164                 33.602                 -9.589
 CID2   Fr= 1--      29.311                 17.925                -59.162
 Raman3 Fr= 1--       0.421                  3.749                  0.324
 ROA3   Fr= 1--      25.179                127.352                -45.030
 CID3   Fr= 1--      59.871                 33.969               -138.911
 RC180  Fr= 1--      -0.638                 -0.559                 -0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.01   0.11     0.03  -0.00  -0.01    -0.04  -0.18   0.00
     2   6    -0.03   0.00   0.14    -0.04   0.05  -0.03     0.01  -0.02   0.03
     3   6    -0.12  -0.02  -0.07     0.05   0.02   0.04    -0.01   0.18  -0.01
     4   6    -0.01   0.03  -0.13     0.05  -0.10   0.02    -0.02   0.00  -0.03
     5   6     0.06   0.02  -0.10    -0.01  -0.11  -0.00    -0.01  -0.17  -0.03
     6   6     0.05  -0.05   0.08    -0.00   0.14  -0.03     0.03   0.17   0.04
     7   6    -0.05   0.00  -0.12    -0.07  -0.05   0.03     0.02  -0.04  -0.05
     8   6    -0.04   0.01  -0.09    -0.13  -0.08  -0.05     0.04  -0.01   0.08
     9   6    -0.01   0.05   0.06    -0.11   0.08   0.10     0.03  -0.02  -0.04
    10   6     0.07  -0.03  -0.04     0.11  -0.04  -0.05    -0.03   0.06   0.01
    11   6     0.03   0.01   0.00     0.08   0.01  -0.02    -0.03  -0.01   0.01
    12   6     0.01   0.00   0.08     0.06   0.01  -0.05    -0.02   0.01   0.03
    13   8     0.04  -0.09   0.06    -0.04   0.03  -0.01     0.02  -0.01   0.02
    14   8     0.00   0.06   0.01    -0.01  -0.02  -0.01    -0.00   0.03  -0.00
    15   1    -0.20   0.02   0.18     0.09  -0.04  -0.05    -0.09  -0.38   0.01
    16   1    -0.25  -0.05  -0.13     0.06   0.09   0.05    -0.01   0.39  -0.01
    17   1     0.15   0.02  -0.16    -0.07  -0.19   0.03     0.00  -0.36  -0.06
    18   1     0.18  -0.12   0.14     0.01   0.27  -0.02     0.06   0.36   0.06
    19   1    -0.28   0.12  -0.30    -0.05  -0.14   0.11    -0.06   0.11  -0.20
    20   1     0.15  -0.17  -0.29    -0.12   0.03   0.09     0.06  -0.23  -0.15
    21   1    -0.00   0.06  -0.09    -0.15  -0.10  -0.04     0.05   0.00   0.08
    22   1     0.15   0.07   0.08     0.15   0.15   0.09    -0.08  -0.01  -0.07
    23   1    -0.13   0.07   0.14    -0.21   0.12   0.17     0.14  -0.04  -0.11
    24   1    -0.02   0.08   0.15    -0.20   0.17   0.25     0.01  -0.02  -0.09
    25   1     0.16  -0.11  -0.11     0.19  -0.13  -0.12    -0.08   0.19   0.08
    26   1     0.10   0.03   0.08     0.18   0.20   0.11    -0.05   0.04  -0.09
    27   1     0.11  -0.05  -0.04     0.30  -0.16  -0.13    -0.06   0.06  -0.07
    28   1     0.13  -0.05   0.03     0.06   0.06  -0.03    -0.00  -0.04   0.01
    29   6     0.04   0.01   0.00     0.03   0.04   0.01     0.00  -0.02  -0.01
    30   1     0.01   0.02  -0.05    -0.18  -0.03   0.06     0.05   0.02  -0.05
    31   1     0.08  -0.01   0.01    -0.02   0.03   0.00     0.02  -0.02  -0.00
    32   1     0.03   0.01  -0.04     0.04   0.07   0.06    -0.00  -0.05  -0.03
    33   1     0.03   0.03   0.04     0.02   0.03  -0.00     0.02  -0.01   0.00
                     19                     20                     21
                      A                      A                      A
 Frequencies --    425.4188               452.0293               550.3265
 Red. masses --      2.3733                 3.6892                 2.5000
 Frc consts  --      0.2531                 0.4441                 0.4461
 IR Inten    --      1.1152                 6.1238                11.2799
 RamAct Fr= 1--      0.8478                 1.7718                 0.8137
  Dep-P Fr= 1--      0.6883                 0.1436                 0.2559
  Dep-U Fr= 1--      0.8153                 0.2512                 0.4075
 Alpha2 Fr= 1--      0.0009                 0.0278                 0.0095
 Beta2  Fr= 1--      0.1152                 0.0742                 0.0553
 AlphaG Fr= 1--      0.0081                -0.0202                 0.0171
 Gamma2 Fr= 1--      0.3481                 0.2824                 0.1621
 Delta2 Fr= 1--      0.0600                 0.2774                 0.2022
 Raman1 Fr= 1--       3.391                  7.087                  3.255
 ROA1   Fr= 1--      35.338                 35.983                 22.034
 CID1   Fr= 1--      10.421                  5.077                  6.769
 Raman2 Fr= 1--       1.382                  0.890                  0.663
 ROA2   Fr= 1--       7.875                  4.558                  2.274
 CID2   Fr= 1--       5.696                  5.120                  3.428
 Raman3 Fr= 1--       2.765                  1.780                  1.327
 ROA3   Fr= 1--      35.338                 35.983                 22.034
 CID3   Fr= 1--      12.781                 20.211                 16.610
 RC180  Fr= 1--       0.631                 -0.498                 -0.185
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.14   0.01     0.07   0.02  -0.03     0.05   0.03  -0.04
     2   6     0.00   0.03  -0.00     0.09  -0.09  -0.02     0.10   0.14   0.00
     3   6     0.01  -0.11  -0.01     0.06   0.04  -0.03     0.03  -0.07  -0.06
     4   6     0.00  -0.11  -0.01    -0.03  -0.06   0.00    -0.04   0.11   0.00
     5   6     0.00   0.02  -0.00     0.06   0.03   0.03     0.03  -0.07   0.01
     6   6     0.00   0.01  -0.01     0.07   0.02   0.02     0.06   0.02   0.02
     7   6    -0.02  -0.13  -0.04     0.09   0.00   0.00     0.06  -0.04   0.00
     8   6     0.01  -0.10   0.16    -0.08   0.05  -0.08    -0.04  -0.04   0.02
     9   6    -0.01   0.01  -0.02    -0.09  -0.02   0.05    -0.08  -0.00   0.02
    10   6    -0.00   0.10  -0.00     0.03  -0.02  -0.00     0.00  -0.01  -0.01
    11   6     0.01  -0.03  -0.01    -0.12  -0.11   0.01    -0.11   0.06   0.07
    12   6     0.01   0.03   0.02    -0.08   0.03   0.09    -0.15  -0.01   0.00
    13   8    -0.00   0.04   0.02     0.04   0.08   0.06     0.01  -0.02  -0.06
    14   8    -0.02   0.08  -0.03    -0.04   0.19  -0.07    -0.00  -0.06   0.03
    15   1     0.05   0.25   0.01     0.05   0.10  -0.01    -0.00  -0.14  -0.03
    16   1     0.00  -0.18  -0.01     0.12   0.12   0.00     0.06  -0.29  -0.05
    17   1     0.01   0.09   0.00     0.10   0.11   0.01     0.07  -0.29  -0.05
    18   1     0.00  -0.01  -0.01     0.04   0.13   0.01     0.01  -0.16  -0.00
    19   1    -0.15   0.08  -0.26     0.19  -0.06   0.09    -0.01  -0.00  -0.05
    20   1    -0.02  -0.45  -0.18     0.13   0.17   0.06     0.06  -0.09  -0.03
    21   1    -0.03  -0.12   0.17    -0.10   0.04  -0.07    -0.09  -0.07   0.03
    22   1    -0.09   0.09  -0.11    -0.03  -0.08   0.12    -0.06  -0.00   0.03
    23   1     0.18  -0.00  -0.14    -0.27  -0.02   0.15    -0.10  -0.01   0.03
    24   1    -0.15   0.08  -0.05     0.03  -0.07   0.09    -0.08   0.00   0.04
    25   1    -0.06   0.35   0.12     0.09  -0.17  -0.09     0.03   0.01  -0.01
    26   1    -0.00   0.20  -0.11     0.06   0.05   0.12     0.03   0.07   0.03
    27   1     0.05   0.01  -0.25     0.10  -0.04   0.06     0.06  -0.05  -0.08
    28   1     0.01  -0.04  -0.00    -0.10  -0.23   0.02    -0.07   0.07   0.08
    29   6     0.01  -0.05  -0.00    -0.09  -0.20  -0.04     0.01   0.05   0.01
    30   1    -0.09   0.02  -0.09     0.13   0.08  -0.34     0.69   0.12  -0.04
    31   1     0.02  -0.06   0.00    -0.05  -0.23  -0.03     0.12   0.15   0.02
    32   1     0.01  -0.09  -0.00    -0.10  -0.27  -0.06    -0.01  -0.04  -0.10
    33   1     0.05  -0.02   0.01    -0.04  -0.16   0.01     0.04   0.04  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    566.9020               619.7191               642.5741
 Red. masses --      2.7556                 1.7097                 3.0593
 Frc consts  --      0.5218                 0.3869                 0.7443
 IR Inten    --     35.9059                65.7143                27.2522
 RamAct Fr= 1--      0.2061                 1.0281                 3.1203
  Dep-P Fr= 1--      0.4024                 0.6807                 0.6254
  Dep-U Fr= 1--      0.5738                 0.8100                 0.7696
 Alpha2 Fr= 1--      0.0015                 0.0013                 0.0071
 Beta2  Fr= 1--      0.0197                 0.1388                 0.4002
 AlphaG Fr= 1--     -0.0034                 0.0109                -0.0192
 Gamma2 Fr= 1--     -0.0688                -1.3042                -0.2700
 Delta2 Fr= 1--     -0.1572                -0.3331                -0.1405
 Raman1 Fr= 1--       0.824                  4.112                 12.481
 ROA1   Fr= 1--     -11.638               -135.864                -30.414
 CID1   Fr= 1--     -14.119                -33.037                 -2.437
 Raman2 Fr= 1--       0.236                  1.666                  4.803
 ROA2   Fr= 1--      -0.395                -28.637                 -5.355
 CID2   Fr= 1--      -1.670                -17.194                 -1.115
 Raman3 Fr= 1--       0.473                  3.331                  9.605
 ROA3   Fr= 1--     -11.638               -135.864                -30.414
 CID3   Fr= 1--     -24.604                -40.787                 -3.166
 RC180  Fr= 1--       0.148                  0.620                  0.539
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.08   0.02     0.02  -0.02   0.06    -0.09   0.02  -0.05
     2   6    -0.04   0.17   0.00    -0.07  -0.05   0.01    -0.03  -0.03  -0.06
     3   6     0.05   0.01   0.06     0.03   0.01   0.03    -0.08  -0.01   0.13
     4   6     0.10   0.19   0.03     0.06  -0.06  -0.02     0.02  -0.03   0.06
     5   6     0.03   0.01  -0.01    -0.01   0.02  -0.05     0.10  -0.02   0.08
     6   6     0.00  -0.06  -0.05    -0.02  -0.01  -0.02     0.08   0.01  -0.10
     7   6    -0.09   0.03   0.02    -0.07   0.03   0.01    -0.03   0.00  -0.01
     8   6     0.00  -0.04   0.02     0.01   0.00  -0.00     0.00   0.01  -0.00
     9   6     0.00   0.01  -0.00     0.04   0.00  -0.01     0.01   0.00  -0.00
    10   6    -0.00  -0.02  -0.01    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.06  -0.08  -0.07     0.07  -0.04   0.04     0.01   0.06  -0.17
    12   6     0.02  -0.02   0.04    -0.05  -0.05   0.02     0.02   0.10  -0.02
    13   8     0.02   0.03   0.05    -0.02   0.08   0.02    -0.02  -0.15  -0.03
    14   8    -0.01   0.05  -0.04    -0.07  -0.03  -0.04    -0.04   0.07   0.14
    15   1     0.07  -0.42  -0.05     0.06   0.09   0.04     0.00   0.09  -0.10
    16   1    -0.00  -0.27   0.03    -0.02   0.13   0.01    -0.03   0.06   0.15
    17   1    -0.06  -0.28   0.01    -0.03   0.13  -0.02     0.03   0.03   0.14
    18   1     0.01  -0.41  -0.06     0.06   0.09   0.01     0.04   0.09  -0.11
    19   1    -0.18   0.01   0.00    -0.06   0.00   0.03    -0.01   0.01  -0.02
    20   1    -0.15  -0.03   0.01    -0.08   0.04   0.01    -0.03  -0.01  -0.02
    21   1     0.01  -0.04   0.02     0.05   0.03  -0.01     0.02   0.02  -0.01
    22   1     0.03   0.05  -0.03     0.04   0.02  -0.02     0.01   0.00  -0.01
    23   1     0.07   0.03  -0.03     0.07   0.01  -0.02     0.02   0.00  -0.01
    24   1    -0.08   0.06   0.00     0.00   0.02  -0.01     0.01   0.00  -0.01
    25   1    -0.01   0.03   0.01    -0.01   0.00   0.01    -0.00   0.00   0.00
    26   1    -0.00  -0.01  -0.03    -0.01  -0.03  -0.02    -0.00  -0.01  -0.00
    27   1    -0.01  -0.03  -0.05    -0.02   0.02   0.02    -0.00   0.01   0.01
    28   1     0.03  -0.17  -0.07     0.12  -0.03   0.05    -0.05   0.01  -0.17
    29   6    -0.08  -0.10  -0.04     0.03   0.03   0.01    -0.02  -0.03  -0.03
    30   1    -0.08  -0.04  -0.16     0.80   0.04  -0.39     0.67   0.28   0.11
    31   1    -0.23  -0.23  -0.06     0.03   0.11   0.01    -0.16  -0.28  -0.04
    32   1    -0.05   0.08   0.09     0.03   0.13  -0.01    -0.00  -0.06   0.13
    33   1    -0.19  -0.11   0.02    -0.07  -0.04  -0.06     0.08   0.09   0.15
                     25                     26                     27
                      A                      A                      A
 Frequencies --    665.5971               720.8298               753.8120
 Red. masses --      5.1059                 3.1133                 3.9107
 Frc consts  --      1.3327                 0.9531                 1.3093
 IR Inten    --      7.8626                34.5756                 6.8429
 RamAct Fr= 1--      4.5319                 2.6155                 5.1258
  Dep-P Fr= 1--      0.5559                 0.0359                 0.0734
  Dep-U Fr= 1--      0.7146                 0.0694                 0.1368
 Alpha2 Fr= 1--      0.0168                 0.0534                 0.0957
 Beta2  Fr= 1--      0.5397                 0.0302                 0.1168
 AlphaG Fr= 1--     -0.0507                 0.0646                -0.0343
 Gamma2 Fr= 1--      0.2555                 0.6701                 0.6276
 Delta2 Fr= 1--     -0.0052                 0.2192                -0.0166
 Raman1 Fr= 1--      18.127                 10.462                 20.503
 ROA1   Fr= 1--      24.357                 71.345                 59.724
 CID1   Fr= 1--       1.344                  6.819                  2.913
 Raman2 Fr= 1--       6.477                  0.363                  1.402
 ROA2   Fr= 1--       6.173                 14.329                 15.196
 CID2   Fr= 1--       0.953                 39.486                 10.837
 Raman3 Fr= 1--      12.953                  0.726                  2.804
 ROA3   Fr= 1--      24.357                 71.345                 59.724
 CID3   Fr= 1--       1.880                 98.302                 21.297
 RC180  Fr= 1--       0.429                 -0.861                 -0.726
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.23  -0.03   0.15    -0.07   0.07  -0.05    -0.02  -0.13  -0.08
     2   6    -0.01  -0.02   0.08     0.07  -0.03  -0.01     0.08   0.23   0.01
     3   6     0.21  -0.01  -0.13    -0.08  -0.01  -0.04     0.01   0.14  -0.06
     4   6     0.01  -0.01  -0.07    -0.04   0.08   0.01    -0.08  -0.23  -0.01
     5   6    -0.21   0.03  -0.12    -0.11  -0.02   0.05     0.01   0.14   0.06
     6   6    -0.20   0.01   0.16    -0.10   0.06   0.09    -0.01  -0.14   0.04
     7   6    -0.02   0.01   0.02     0.17  -0.09  -0.01     0.04   0.07   0.02
     8   6     0.00  -0.01   0.01    -0.01   0.03  -0.02     0.01  -0.04   0.04
     9   6     0.01  -0.00  -0.00    -0.03   0.00   0.00    -0.07   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00   0.02   0.02     0.01  -0.05  -0.04
    11   6     0.00   0.05  -0.13     0.12  -0.02  -0.10    -0.01  -0.00   0.02
    12   6     0.02   0.11  -0.04     0.18  -0.04   0.00     0.16   0.02  -0.05
    13   8    -0.02  -0.13  -0.06    -0.03   0.02   0.10    -0.05  -0.00   0.02
    14   8    -0.01   0.08   0.13    -0.08  -0.03  -0.04    -0.05  -0.01   0.01
    15   1     0.20   0.02   0.18    -0.18  -0.08   0.01    -0.10  -0.33  -0.05
    16   1     0.13   0.04  -0.17    -0.10  -0.26  -0.05     0.10   0.37  -0.02
    17   1    -0.16   0.06  -0.15    -0.13  -0.25   0.03     0.09   0.34   0.03
    18   1    -0.11   0.03   0.20    -0.23  -0.07   0.02    -0.09  -0.35   0.00
    19   1     0.03  -0.06   0.10     0.23  -0.07  -0.00    -0.11   0.13  -0.08
    20   1    -0.06   0.10   0.08     0.19  -0.02   0.01     0.04  -0.07  -0.04
    21   1     0.01  -0.01   0.01    -0.08  -0.02  -0.01    -0.01  -0.07   0.04
    22   1     0.01   0.01  -0.01    -0.06  -0.06   0.04    -0.08   0.03  -0.00
    23   1     0.04   0.01  -0.01    -0.13  -0.04   0.04    -0.01   0.01  -0.01
    24   1    -0.02   0.01  -0.01     0.11  -0.07   0.01    -0.13   0.03   0.01
    25   1    -0.00   0.02   0.01     0.01  -0.02  -0.01    -0.00   0.01  -0.01
    26   1    -0.00  -0.00  -0.00     0.00   0.04   0.05     0.01  -0.04  -0.07
    27   1    -0.01  -0.00  -0.01     0.02   0.02   0.03     0.01  -0.07  -0.11
    28   1    -0.04  -0.00  -0.14     0.05  -0.03  -0.11    -0.04   0.11   0.01
    29   6    -0.04  -0.06  -0.05     0.03   0.02  -0.01     0.01   0.01   0.01
    30   1     0.31   0.25   0.26     0.35  -0.08  -0.36     0.23   0.02  -0.08
    31   1    -0.14  -0.28  -0.05    -0.15  -0.15  -0.03     0.10   0.07   0.02
    32   1    -0.02  -0.10   0.08     0.07   0.19   0.17    -0.01  -0.10  -0.05
    33   1     0.05   0.05   0.11    -0.03   0.04   0.09     0.09   0.03  -0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    806.5679               824.2282               837.4028
 Red. masses --      2.2204                 3.8277                 2.7921
 Frc consts  --      0.8511                 1.5321                 1.1536
 IR Inten    --      7.8586                10.5217                 0.9445
 RamAct Fr= 1--     27.9546                 0.8033                 5.7961
  Dep-P Fr= 1--      0.0506                 0.2282                 0.0971
  Dep-U Fr= 1--      0.0964                 0.3716                 0.1770
 Alpha2 Fr= 1--      0.5514                 0.0101                 0.1022
 Beta2  Fr= 1--      0.4489                 0.0498                 0.1710
 AlphaG Fr= 1--     -0.1785                 0.0120                 0.0399
 Gamma2 Fr= 1--     -0.7514                 0.0988                -2.0226
 Delta2 Fr= 1--      0.0444                 0.0574                -2.1616
 Raman1 Fr= 1--     111.819                  3.213                 23.184
 ROA1   Fr= 1--     -70.713                 11.323               -263.338
 CID1   Fr= 1--      -0.632                  3.524                -11.358
 Raman2 Fr= 1--       5.387                  0.597                  2.052
 ROA2   Fr= 1--     -18.389                  1.913                -31.249
 CID2   Fr= 1--      -3.414                  3.203                -15.226
 Raman3 Fr= 1--      10.774                  1.194                  4.105
 ROA3   Fr= 1--     -70.713                 11.323               -263.338
 CID3   Fr= 1--      -6.563                  9.481                -64.155
 RC180  Fr= 1--      -0.807                 -0.257                 -0.646
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.03  -0.04     0.04   0.03  -0.03    -0.04   0.03   0.05
     2   6     0.02  -0.02  -0.01    -0.03  -0.12   0.00    -0.01  -0.06   0.00
     3   6     0.00  -0.06  -0.04     0.05  -0.02  -0.09    -0.04   0.02   0.07
     4   6    -0.01   0.09   0.01    -0.04   0.13   0.01     0.05   0.03   0.00
     5   6    -0.00  -0.06   0.05     0.08  -0.05   0.02    -0.05   0.01  -0.08
     6   6    -0.01  -0.03   0.05     0.08   0.02   0.03    -0.02   0.02  -0.07
     7   6     0.00   0.15   0.01    -0.16   0.07  -0.01     0.12   0.09   0.03
     8   6     0.03  -0.04   0.09    -0.01  -0.01   0.01     0.05   0.01   0.08
     9   6    -0.08  -0.00   0.04     0.03  -0.02   0.00    -0.10   0.02   0.04
    10   6     0.03  -0.10  -0.08     0.00  -0.01  -0.00     0.04  -0.10  -0.10
    11   6     0.01   0.03  -0.09    -0.13   0.04   0.10     0.06  -0.08   0.13
    12   6    -0.05  -0.04   0.06     0.31   0.02  -0.07     0.04   0.05  -0.08
    13   8     0.03   0.01   0.05    -0.07   0.00   0.07    -0.04  -0.00  -0.08
    14   8     0.01  -0.03  -0.04    -0.07  -0.04  -0.00    -0.01   0.06   0.05
    15   1     0.02   0.43   0.00     0.04   0.15  -0.02    -0.04  -0.03   0.04
    16   1     0.08   0.28   0.00     0.10  -0.21  -0.07    -0.15  -0.21   0.01
    17   1     0.04   0.18   0.05     0.18  -0.17  -0.07    -0.13  -0.10  -0.04
    18   1    -0.03   0.37   0.05     0.14   0.17   0.06     0.01   0.03  -0.06
    19   1    -0.01   0.25  -0.08    -0.12   0.03   0.03     0.16   0.27  -0.12
    20   1     0.02   0.01  -0.06    -0.17   0.10   0.01     0.21  -0.06  -0.08
    21   1     0.10  -0.00   0.07     0.10   0.07  -0.01     0.05  -0.01   0.06
    22   1    -0.15   0.07  -0.04     0.07   0.05  -0.05    -0.24   0.03   0.00
    23   1     0.12   0.03  -0.06     0.16   0.04  -0.05     0.01  -0.01  -0.03
    24   1    -0.26   0.08  -0.01    -0.12   0.06  -0.01    -0.13   0.01  -0.02
    25   1    -0.02   0.02  -0.01    -0.01   0.02   0.01    -0.03  -0.03  -0.04
    26   1     0.01  -0.13  -0.20    -0.00  -0.02  -0.02     0.01  -0.19  -0.22
    27   1    -0.01  -0.11  -0.18    -0.01  -0.01  -0.02    -0.02  -0.08  -0.11
    28   1    -0.02  -0.07  -0.09    -0.20   0.30   0.06     0.11   0.04   0.13
    29   6     0.02   0.03  -0.02    -0.08  -0.06  -0.01    -0.02  -0.09   0.01
    30   1    -0.06  -0.11  -0.13     0.16  -0.05  -0.14     0.07   0.17   0.20
    31   1    -0.11  -0.16  -0.03     0.16   0.12   0.02     0.06   0.22   0.01
    32   1     0.04   0.09   0.13    -0.13  -0.34  -0.22    -0.03   0.06  -0.13
    33   1     0.03   0.11   0.13     0.09  -0.04  -0.09    -0.22  -0.30  -0.25
                     31                     32                     33
                      A                      A                      A
 Frequencies --    853.4038               859.0010               871.7889
 Red. masses --      1.2812                 3.2901                 1.8123
 Frc consts  --      0.5498                 1.4304                 0.8115
 IR Inten    --      0.3818                 4.0551                17.8802
 RamAct Fr= 1--      1.1146                12.8892                 5.7381
  Dep-P Fr= 1--      0.1535                 0.1916                 0.0795
  Dep-U Fr= 1--      0.2661                 0.3216                 0.1473
 Alpha2 Fr= 1--      0.0171                 0.1790                 0.1056
 Beta2  Fr= 1--      0.0494                 0.6908                 0.1409
 AlphaG Fr= 1--     -0.0185                -0.0975                -0.0831
 Gamma2 Fr= 1--      0.0520                 1.9733                 0.3284
 Delta2 Fr= 1--      0.0289                 0.6284                 0.7811
 Raman1 Fr= 1--       4.458                 51.557                 22.952
 ROA1   Fr= 1--       5.921                209.545                 56.522
 CID1   Fr= 1--       1.328                  4.064                  2.463
 Raman2 Fr= 1--       0.593                  8.290                  1.690
 ROA2   Fr= 1--       1.017                 42.331                  1.633
 CID2   Fr= 1--       1.715                  5.106                  0.966
 Raman3 Fr= 1--       1.186                 16.580                  3.381
 ROA3   Fr= 1--       5.921                209.545                 56.522
 CID3   Fr= 1--       4.991                 12.639                 16.719
 RC180  Fr= 1--      -0.468                 -0.357                 -0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.00    -0.06   0.01  -0.15    -0.02  -0.05  -0.01
     2   6    -0.00   0.01   0.00     0.02  -0.04  -0.01     0.02   0.12   0.01
     3   6    -0.01  -0.09   0.00     0.01   0.00  -0.16    -0.01  -0.05   0.00
     4   6     0.01   0.02   0.00    -0.03   0.01   0.00     0.02   0.10   0.01
     5   6    -0.00   0.06  -0.01     0.05   0.00   0.16    -0.02  -0.08  -0.02
     6   6     0.01   0.07  -0.01    -0.01   0.00   0.17    -0.02  -0.09  -0.02
     7   6     0.02  -0.01   0.02    -0.12   0.03  -0.02     0.04  -0.06   0.03
     8   6    -0.00   0.00  -0.01    -0.02  -0.02  -0.01    -0.02  -0.01  -0.04
     9   6     0.00   0.00  -0.01     0.04  -0.02  -0.01     0.03   0.00  -0.03
    10   6    -0.00   0.01   0.00    -0.01   0.02   0.03    -0.02   0.05   0.04
    11   6    -0.00   0.00   0.02     0.16  -0.12   0.05     0.03  -0.01   0.05
    12   6     0.02   0.00  -0.01    -0.07   0.03  -0.05     0.04   0.01  -0.03
    13   8    -0.01   0.00  -0.00    -0.01   0.00  -0.09    -0.02   0.00  -0.01
    14   8    -0.00   0.00   0.00     0.01   0.07   0.05    -0.01   0.01   0.02
    15   1     0.05   0.51   0.04    -0.16   0.11  -0.07     0.00   0.25   0.01
    16   1     0.04   0.55   0.04     0.11  -0.02  -0.11     0.02   0.29   0.02
    17   1    -0.06  -0.41  -0.04     0.16  -0.17   0.08     0.01   0.49   0.03
    18   1    -0.04  -0.45  -0.04    -0.13  -0.04   0.12     0.04   0.53   0.01
    19   1    -0.02   0.02  -0.02    -0.11  -0.06   0.06    -0.12  -0.04  -0.04
    20   1     0.03  -0.07  -0.01    -0.18   0.11   0.04     0.06  -0.17  -0.02
    21   1    -0.04  -0.03  -0.00     0.06   0.05  -0.02    -0.14  -0.10  -0.02
    22   1     0.02  -0.02   0.01     0.11   0.03  -0.04     0.11  -0.06   0.04
    23   1    -0.04  -0.01   0.02     0.12   0.03  -0.03    -0.15  -0.01   0.06
    24   1     0.05  -0.01   0.01    -0.08   0.05  -0.00     0.15  -0.04   0.04
    25   1     0.00  -0.02  -0.01     0.01   0.04   0.02     0.02  -0.03  -0.01
    26   1    -0.00   0.00   0.01    -0.00   0.06   0.05    -0.00   0.08   0.12
    27   1    -0.00   0.02   0.03     0.00   0.00  -0.01     0.02   0.04   0.09
    28   1    -0.01   0.01   0.02     0.23  -0.16   0.07     0.03   0.05   0.04
    29   6    -0.01  -0.01  -0.00     0.05  -0.05   0.02    -0.02  -0.06  -0.01
    30   1     0.01   0.01   0.01     0.03   0.17   0.20     0.03   0.04   0.04
    31   1     0.01   0.02  -0.00    -0.08   0.13  -0.02    -0.01   0.07  -0.01
    32   1    -0.01  -0.01  -0.03     0.09   0.36   0.07    -0.02   0.04  -0.05
    33   1    -0.02  -0.03  -0.03    -0.30  -0.28  -0.18    -0.13  -0.16  -0.12
                     34                     35                     36
                      A                      A                      A
 Frequencies --    897.7766               936.2515               954.2213
 Red. masses --      1.5184                 1.1970                 1.6965
 Frc consts  --      0.7211                 0.6182                 0.9101
 IR Inten    --      1.9933                 1.8886                 0.3227
 RamAct Fr= 1--      2.1358                 1.1891                 5.5628
  Dep-P Fr= 1--      0.6550                 0.5231                 0.7412
  Dep-U Fr= 1--      0.7915                 0.6869                 0.8513
 Alpha2 Fr= 1--      0.0036                 0.0052                 0.0008
 Beta2  Fr= 1--      0.2818                 0.1361                 0.7893
 AlphaG Fr= 1--      0.0071                 0.0227                 0.0006
 Gamma2 Fr= 1--     -0.4622                -0.3372                -2.3630
 Delta2 Fr= 1--      0.0499                -0.6670                -0.3037
 Raman1 Fr= 1--       8.543                  4.757                 22.251
 ROA1   Fr= 1--     -42.771                -53.713               -236.569
 CID1   Fr= 1--      -5.006                -11.292                -10.632
 Raman2 Fr= 1--       3.381                  1.634                  9.472
 ROA2   Fr= 1--     -11.491                 -2.756                -54.283
 CID2   Fr= 1--      -3.399                 -1.687                 -5.731
 Raman3 Fr= 1--       6.762                  3.267                 18.943
 ROA3   Fr= 1--     -42.771                -53.713               -236.569
 CID3   Fr= 1--      -6.325                -16.439                -12.488
 RC180  Fr= 1--       0.583                  0.374                  0.703
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.04    -0.00   0.00   0.01     0.01   0.08   0.00
     2   6    -0.01  -0.05   0.01     0.01   0.01  -0.00    -0.02   0.00  -0.00
     3   6     0.04   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.09  -0.03
     4   6    -0.01  -0.02   0.01     0.00   0.00  -0.00     0.00   0.02  -0.00
     5   6    -0.00   0.00   0.02    -0.00  -0.00  -0.01     0.02  -0.01   0.02
     6   6    -0.00   0.01  -0.01    -0.00  -0.00  -0.00     0.00  -0.01   0.02
     7   6    -0.04   0.01   0.16     0.02   0.01  -0.01    -0.06  -0.10  -0.01
     8   6    -0.01   0.05  -0.00    -0.04  -0.00   0.01     0.08   0.08   0.01
     9   6     0.03   0.01  -0.02     0.05  -0.00   0.07    -0.06   0.07   0.04
    10   6     0.01   0.02  -0.06    -0.08   0.02  -0.03     0.05  -0.01  -0.05
    11   6    -0.00  -0.00  -0.01     0.00   0.00   0.00     0.01   0.01   0.00
    12   6    -0.01  -0.00   0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.05  -0.06    -0.00  -0.02   0.01    -0.05  -0.49  -0.04
    16   1     0.08  -0.15  -0.02    -0.01   0.05   0.01     0.07   0.52   0.01
    17   1    -0.02  -0.04   0.03    -0.01   0.01  -0.00     0.05   0.07   0.01
    18   1    -0.03  -0.02  -0.03    -0.00  -0.00  -0.00     0.01  -0.01   0.03
    19   1    -0.24   0.39  -0.24     0.05   0.02  -0.01    -0.02  -0.17   0.07
    20   1     0.07  -0.49  -0.11     0.02   0.03  -0.01    -0.17  -0.04   0.07
    21   1    -0.15  -0.25  -0.06     0.22  -0.18  -0.20     0.14   0.09  -0.02
    22   1     0.05  -0.03   0.02    -0.34   0.08  -0.08    -0.40  -0.01   0.04
    23   1    -0.09  -0.02   0.04     0.41  -0.10  -0.19    -0.03  -0.09  -0.04
    24   1     0.15  -0.03   0.03    -0.05  -0.02  -0.17     0.14  -0.08  -0.10
    25   1     0.00  -0.31  -0.18     0.21  -0.29  -0.27    -0.04  -0.09  -0.04
    26   1    -0.00  -0.16   0.04     0.04   0.25   0.42     0.00  -0.20  -0.15
    27   1    -0.03   0.12   0.30     0.18  -0.09   0.04    -0.06   0.09   0.12
    28   1    -0.02  -0.03  -0.02     0.00   0.00   0.00     0.02   0.02   0.01
    29   6     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.01  -0.02  -0.00
    30   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1    -0.02  -0.04  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    32   1     0.01   0.01   0.03    -0.00  -0.00  -0.00    -0.01  -0.01  -0.02
    33   1     0.02   0.04   0.04    -0.00  -0.01  -0.01    -0.02  -0.03  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --    962.6486               972.1755               977.1112
 Red. masses --      1.5438                 1.4866                 1.3846
 Frc consts  --      0.8429                 0.8278                 0.7789
 IR Inten    --      0.1796                 0.0536                 0.1500
 RamAct Fr= 1--      2.1526                 2.5357                 0.3703
  Dep-P Fr= 1--      0.6316                 0.6506                 0.7081
  Dep-U Fr= 1--      0.7742                 0.7883                 0.8291
 Alpha2 Fr= 1--      0.0046                 0.0045                 0.0003
 Beta2  Fr= 1--      0.2778                 0.3332                 0.0512
 AlphaG Fr= 1--      0.0491                 0.0020                -0.0011
 Gamma2 Fr= 1--      0.1778                -0.1234                -0.5485
 Delta2 Fr= 1--      0.2957                -0.1164                 0.4988
 Raman1 Fr= 1--       8.610                 10.143                  1.481
 ROA1   Fr= 1--      26.530                -15.569                -36.699
 CID1   Fr= 1--       3.081                 -1.535                -24.773
 Raman2 Fr= 1--       3.333                  3.998                  0.614
 ROA2   Fr= 1--       1.901                 -2.030                -17.156
 CID2   Fr= 1--       0.570                 -0.508                -27.935
 Raman3 Fr= 1--       6.666                  7.996                  1.228
 ROA3   Fr= 1--      26.530                -15.569                -36.699
 CID3   Fr= 1--       3.980                 -1.947                -29.880
 RC180  Fr= 1--       0.548                  0.577                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.11  -0.01     0.00   0.01  -0.00    -0.00   0.01  -0.01
     2   6    -0.01   0.04  -0.00    -0.01  -0.01   0.00    -0.00  -0.03  -0.00
     3   6     0.01   0.09  -0.00     0.01  -0.01  -0.01    -0.00  -0.01  -0.00
     4   6    -0.00  -0.01  -0.00    -0.00  -0.00   0.00     0.01   0.02   0.00
     5   6     0.01  -0.03   0.01     0.01   0.02   0.01    -0.01  -0.12  -0.00
     6   6     0.00   0.02   0.01    -0.00  -0.02  -0.00     0.01   0.11   0.01
     7   6    -0.03  -0.09  -0.02    -0.01   0.02   0.02    -0.00   0.03   0.01
     8   6     0.06   0.06   0.01    -0.07   0.04   0.06    -0.03  -0.00   0.01
     9   6    -0.04   0.07   0.04     0.10   0.08  -0.03     0.03  -0.01  -0.01
    10   6     0.03  -0.01  -0.03    -0.04  -0.11  -0.03    -0.01  -0.02   0.00
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.02   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    13   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    15   1     0.06   0.60   0.04     0.00  -0.05  -0.01    -0.02  -0.08  -0.01
    16   1    -0.04  -0.49  -0.04     0.02   0.03  -0.00     0.01   0.06   0.00
    17   1     0.05   0.16   0.01    -0.00  -0.13  -0.00     0.06   0.70   0.06
    18   1     0.00  -0.11   0.01     0.01   0.10   0.01    -0.07  -0.64  -0.04
    19   1    -0.04  -0.19   0.08    -0.03   0.04  -0.01     0.03   0.07  -0.02
    20   1    -0.14  -0.03   0.06    -0.02  -0.01   0.01     0.03   0.02  -0.01
    21   1     0.10   0.07  -0.01    -0.24   0.14   0.18    -0.06   0.02   0.04
    22   1    -0.37  -0.02   0.04    -0.14  -0.13   0.10     0.07  -0.01   0.00
    23   1    -0.04  -0.10  -0.04    -0.15  -0.13   0.02     0.00   0.01   0.01
    24   1     0.18  -0.09  -0.10     0.55  -0.17  -0.07     0.03  -0.00   0.01
    25   1    -0.00  -0.05  -0.03     0.08   0.16   0.02     0.01   0.04   0.01
    26   1     0.00  -0.09  -0.07     0.02   0.21   0.01     0.00   0.04   0.00
    27   1    -0.02   0.03   0.05     0.13  -0.30  -0.45     0.02  -0.06  -0.09
    28   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.03   0.05   0.00
    29   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.01  -0.02  -0.01
    30   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   1     0.01   0.00   0.00    -0.00  -0.01   0.00     0.01   0.01  -0.00
    32   1    -0.00  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.01  -0.02
    33   1     0.01   0.01   0.00     0.01   0.01   0.01    -0.02  -0.04  -0.03
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1014.2452              1046.1702              1084.2273
 Red. masses --      1.9162                 2.8214                 2.1155
 Frc consts  --      1.1614                 1.8194                 1.4652
 IR Inten    --      2.1954                 4.2930                57.4409
 RamAct Fr= 1--      8.8505                 0.0528                 2.8152
  Dep-P Fr= 1--      0.2493                 0.7274                 0.6124
  Dep-U Fr= 1--      0.3991                 0.8422                 0.7596
 Alpha2 Fr= 1--      0.1051                 0.0000                 0.0071
 Beta2  Fr= 1--      0.5887                 0.0074                 0.3564
 AlphaG Fr= 1--      0.0127                 0.0003                 0.0124
 Gamma2 Fr= 1--      0.3208                -0.0079                -0.9811
 Delta2 Fr= 1--     -1.1139                 0.1580                 0.8632
 Raman1 Fr= 1--      35.402                  0.211                 11.261
 ROA1   Fr= 1--      -4.850                  4.293                -66.561
 CID1   Fr= 1--      -0.137                 20.342                 -5.911
 Raman2 Fr= 1--       7.064                  0.089                  4.277
 ROA2   Fr= 1--      16.609                 -1.455                -30.451
 CID2   Fr= 1--       2.351                -16.369                 -7.120
 Raman3 Fr= 1--      14.129                  0.178                  8.554
 ROA3   Fr= 1--      -4.850                  4.293                -66.561
 CID3   Fr= 1--      -0.343                 24.155                 -7.781
 RC180  Fr= 1--      -0.202                  0.684                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.04    -0.05   0.02  -0.20    -0.05   0.01  -0.04
     2   6    -0.00   0.00  -0.02     0.03  -0.01  -0.00    -0.00  -0.01   0.04
     3   6     0.00   0.01   0.02    -0.01  -0.01   0.19     0.02   0.01  -0.05
     4   6     0.07  -0.03  -0.04     0.04  -0.00   0.01     0.05  -0.02   0.03
     5   6     0.00   0.02   0.04    -0.04   0.02  -0.20    -0.02   0.01  -0.00
     6   6    -0.04  -0.01   0.06    -0.01  -0.01   0.20     0.01   0.00  -0.02
     7   6     0.01   0.01   0.00    -0.01   0.00   0.00     0.01  -0.01   0.02
     8   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.01   0.01  -0.04
     9   6     0.00  -0.00  -0.01     0.00   0.00  -0.00    -0.01  -0.00   0.02
    10   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.01   0.02
    11   6     0.10   0.14  -0.06    -0.01  -0.01   0.02     0.09   0.08   0.16
    12   6    -0.07  -0.01   0.04     0.00  -0.00  -0.01    -0.01   0.09   0.02
    13   8     0.03  -0.00   0.03    -0.00   0.00  -0.01    -0.00   0.01  -0.00
    14   8     0.01  -0.03  -0.02    -0.00   0.00   0.00    -0.01  -0.07  -0.07
    15   1    -0.00   0.02  -0.05     0.21   0.00  -0.38    -0.19   0.01   0.05
    16   1    -0.03  -0.06   0.01     0.29  -0.05   0.33     0.09  -0.03  -0.02
    17   1    -0.04  -0.14   0.05     0.21   0.00  -0.38    -0.17  -0.01   0.10
    18   1    -0.12   0.06   0.04     0.32  -0.06   0.35     0.06  -0.00   0.00
    19   1     0.04   0.03  -0.01    -0.04  -0.01   0.00    -0.18  -0.06   0.01
    20   1    -0.03  -0.02   0.01    -0.06  -0.02   0.01     0.20   0.03  -0.05
    21   1    -0.03  -0.04   0.00    -0.00   0.00   0.00     0.10   0.11  -0.04
    22   1     0.03  -0.01   0.00    -0.01  -0.00   0.00    -0.06   0.02  -0.02
    23   1    -0.02   0.00   0.01    -0.01  -0.00   0.00     0.06  -0.00  -0.02
    24   1     0.01   0.00   0.01     0.01  -0.00  -0.00    -0.05   0.01  -0.03
    25   1     0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.09   0.06
    26   1     0.00  -0.00   0.01     0.00  -0.00  -0.00     0.00   0.05  -0.01
    27   1     0.00   0.00   0.02    -0.00   0.00   0.00     0.00  -0.04  -0.08
    28   1     0.45   0.46  -0.00    -0.10  -0.07   0.01     0.06  -0.29   0.18
    29   6    -0.12  -0.09   0.00     0.00   0.02  -0.01    -0.06  -0.02  -0.13
    30   1    -0.01  -0.05  -0.05     0.00   0.01   0.01     0.07   0.14   0.25
    31   1     0.22   0.18   0.04    -0.02  -0.07  -0.01    -0.16  -0.48  -0.11
    32   1    -0.18  -0.38  -0.35     0.00  -0.02   0.04    -0.04  -0.23   0.13
    33   1     0.07  -0.12  -0.20     0.03   0.06   0.06     0.12   0.22   0.24
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1097.3588              1106.2202              1138.5163
 Red. masses --      1.5764                 1.8099                 2.1670
 Frc consts  --      1.1185                 1.3049                 1.6550
 IR Inten    --      3.5792                45.1030                 2.2663
 RamAct Fr= 1--      2.7028                 4.2304                13.6916
  Dep-P Fr= 1--      0.2642                 0.3260                 0.4350
  Dep-U Fr= 1--      0.4180                 0.4917                 0.6063
 Alpha2 Fr= 1--      0.0308                 0.0401                 0.0890
 Beta2  Fr= 1--      0.1883                 0.3467                 1.3835
 AlphaG Fr= 1--     -0.0228                 0.0281                -0.1338
 Gamma2 Fr= 1--      0.2604                -1.9975                 0.8759
 Delta2 Fr= 1--      0.7021                -0.4772                -0.0821
 Raman1 Fr= 1--      10.811                 16.921                 54.767
 ROA1   Fr= 1--      47.466               -207.029                 81.460
 CID1   Fr= 1--       4.390                -12.235                  1.487
 Raman2 Fr= 1--       2.259                  4.160                 16.603
 ROA2   Fr= 1--       0.633                -44.122                 21.679
 CID2   Fr= 1--       0.280                -10.607                  1.306
 Raman3 Fr= 1--       4.519                  8.320                 33.205
 ROA3   Fr= 1--      47.466               -207.029                 81.460
 CID3   Fr= 1--      10.504                -24.884                  2.453
 RC180  Fr= 1--      -0.164                 -0.017                  0.213
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.03     0.03  -0.01   0.05     0.03   0.01   0.01
     2   6     0.01  -0.01   0.04     0.00   0.02  -0.05    -0.03  -0.05  -0.02
     3   6     0.02   0.01  -0.01    -0.03   0.01   0.02    -0.02   0.00   0.01
     4   6    -0.05  -0.04   0.04    -0.04  -0.03  -0.01    -0.02   0.00  -0.02
     5   6    -0.03   0.02  -0.04     0.03   0.01  -0.01     0.03  -0.00   0.01
     6   6     0.02   0.00  -0.05     0.01  -0.01   0.02    -0.02   0.01   0.02
     7   6    -0.01  -0.01   0.05    -0.01   0.01  -0.07     0.01   0.11   0.00
     8   6     0.01   0.01  -0.05    -0.03  -0.01   0.09     0.17  -0.15  -0.07
     9   6    -0.01  -0.00   0.02     0.02  -0.00  -0.03    -0.08   0.09  -0.03
    10   6    -0.00  -0.02   0.03     0.01   0.02  -0.05    -0.06   0.03   0.09
    11   6    -0.02   0.11  -0.03     0.01   0.11   0.07    -0.01   0.00   0.00
    12   6    -0.02  -0.00   0.02    -0.00   0.07   0.02     0.00   0.03   0.01
    13   8     0.02  -0.01   0.03     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00  -0.01  -0.00    -0.01  -0.06  -0.05    -0.00  -0.02  -0.02
    15   1    -0.04  -0.01  -0.00     0.07   0.01   0.02     0.19  -0.07  -0.10
    16   1     0.17  -0.07   0.06    -0.16  -0.02  -0.04    -0.14   0.01  -0.04
    17   1    -0.09  -0.04  -0.00     0.17  -0.03  -0.11     0.16  -0.01  -0.08
    18   1     0.13  -0.02  -0.00     0.01   0.00   0.03    -0.13  -0.03  -0.04
    19   1    -0.29  -0.07   0.01     0.41   0.09  -0.01    -0.22  -0.01   0.02
    20   1     0.26   0.02  -0.07    -0.38  -0.01   0.10    -0.09  -0.09  -0.03
    21   1     0.13   0.15  -0.05    -0.20  -0.18   0.09     0.19  -0.42  -0.19
    22   1    -0.08   0.03  -0.02     0.12  -0.04   0.03    -0.21  -0.11   0.12
    23   1     0.08  -0.01  -0.03    -0.09   0.01   0.04    -0.40  -0.09   0.07
    24   1    -0.06   0.01  -0.04     0.08  -0.01   0.05     0.22  -0.07   0.00
    25   1     0.00   0.13   0.08    -0.01  -0.19  -0.12     0.08   0.13   0.07
    26   1     0.00   0.06  -0.03    -0.00  -0.11   0.02     0.00   0.22   0.20
    27   1    -0.00  -0.05  -0.11    -0.00   0.08   0.16     0.10  -0.08  -0.06
    28   1    -0.21   0.37  -0.08    -0.10   0.06   0.05     0.04  -0.06   0.02
    29   6     0.07  -0.09  -0.00     0.05  -0.08  -0.06     0.01  -0.01   0.00
    30   1    -0.02  -0.06  -0.07     0.03   0.06   0.13     0.01   0.05   0.07
    31   1    -0.20   0.08  -0.06    -0.25  -0.14  -0.10    -0.01   0.01  -0.00
    32   1     0.11   0.37   0.07     0.09   0.25   0.16     0.01   0.03   0.01
    33   1    -0.32  -0.31  -0.15    -0.23  -0.16  -0.00    -0.03  -0.02  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1148.2261              1161.6316              1193.8704
 Red. masses --      1.5705                 2.0662                 1.7718
 Frc consts  --      1.2200                 1.6427                 1.4879
 IR Inten    --     41.0964               149.3693                10.0603
 RamAct Fr= 1--      7.2291                 1.3231                 2.6587
  Dep-P Fr= 1--      0.1590                 0.4540                 0.5900
  Dep-U Fr= 1--      0.2744                 0.6244                 0.7422
 Alpha2 Fr= 1--      0.1092                 0.0080                 0.0079
 Beta2  Fr= 1--      0.3306                 0.1377                 0.3289
 AlphaG Fr= 1--     -0.0017                -0.0218                -0.0158
 Gamma2 Fr= 1--      0.1049                -1.6475                 1.6210
 Delta2 Fr= 1--      0.7289                -0.5924                -0.5047
 Raman1 Fr= 1--      28.916                  5.292                 10.635
 ROA1   Fr= 1--      33.397               -177.111                139.464
 CID1   Fr= 1--       1.155                -33.466                 13.114
 Raman2 Fr= 1--       3.968                  1.652                  3.946
 ROA2   Fr= 1--      -3.314                -34.800                 42.941
 CID2   Fr= 1--      -0.835                -21.061                 10.881
 Raman3 Fr= 1--       7.935                  3.305                  7.893
 ROA3   Fr= 1--      33.397               -177.111                139.464
 CID3   Fr= 1--       4.209                -53.593                 17.670
 RC180  Fr= 1--      -0.451                  0.249                  0.484
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08  -0.01   0.00    -0.03   0.00   0.01     0.00  -0.00   0.01
     2   6     0.02   0.01  -0.01    -0.01   0.00   0.01     0.01   0.00  -0.01
     3   6    -0.07   0.00   0.04     0.04  -0.01   0.01     0.00  -0.00   0.00
     4   6    -0.04   0.01  -0.03    -0.04   0.02  -0.00    -0.00   0.00  -0.00
     5   6     0.05  -0.01   0.01    -0.05   0.00   0.00    -0.01   0.00   0.00
     6   6    -0.05   0.00   0.00     0.05  -0.00  -0.02     0.00  -0.00   0.00
     7   6    -0.01  -0.04   0.06    -0.00   0.01  -0.02    -0.01  -0.05   0.03
     8   6    -0.04   0.06  -0.04     0.00  -0.01   0.01     0.14   0.13   0.05
     9   6     0.02  -0.03   0.03     0.00   0.01  -0.01    -0.06  -0.07  -0.08
    10   6     0.01  -0.02   0.01     0.00   0.01  -0.01    -0.11  -0.04  -0.04
    11   6    -0.00  -0.02  -0.01    -0.03  -0.07  -0.11     0.00   0.00  -0.00
    12   6     0.01   0.08   0.02     0.01   0.16   0.05     0.00   0.00   0.00
    13   8     0.01  -0.01   0.02     0.02  -0.02   0.05     0.00  -0.00   0.00
    14   8    -0.01  -0.04  -0.06    -0.02  -0.08  -0.11    -0.00  -0.00  -0.00
    15   1     0.44  -0.02  -0.23    -0.18   0.01   0.11    -0.01   0.01   0.02
    16   1    -0.30   0.04  -0.06     0.35  -0.02   0.15    -0.02   0.00  -0.01
    17   1     0.31  -0.01  -0.17    -0.24   0.03   0.13    -0.01   0.00   0.01
    18   1    -0.38   0.05  -0.14     0.31  -0.03   0.10     0.03  -0.00   0.02
    19   1    -0.16  -0.01  -0.02     0.05  -0.00   0.01     0.04   0.00   0.00
    20   1     0.21  -0.02  -0.04    -0.04   0.02   0.01    -0.19  -0.19   0.06
    21   1     0.03   0.21  -0.00    -0.02  -0.03   0.01     0.29   0.31   0.05
    22   1     0.00   0.06  -0.06     0.00  -0.01   0.01     0.34  -0.00  -0.03
    23   1     0.18   0.02  -0.04    -0.03  -0.01   0.01    -0.21   0.20   0.13
    24   1    -0.12   0.03  -0.03     0.03  -0.01   0.00    -0.23   0.10   0.20
    25   1    -0.02   0.08   0.06    -0.00  -0.03  -0.02     0.23  -0.09  -0.21
    26   1     0.00  -0.01  -0.09    -0.00  -0.01   0.01    -0.00   0.26   0.24
    27   1    -0.03  -0.02  -0.08     0.00   0.01   0.03     0.21  -0.22  -0.16
    28   1     0.14  -0.16   0.03     0.21  -0.27  -0.05     0.01  -0.01   0.00
    29   6     0.01  -0.01   0.02     0.01   0.01   0.09     0.00  -0.00   0.00
    30   1     0.04   0.13   0.20     0.07   0.25   0.40     0.00   0.01   0.01
    31   1     0.03   0.07   0.02     0.15   0.29   0.10    -0.00   0.00  -0.00
    32   1     0.00   0.02  -0.02    -0.02   0.03  -0.15     0.00   0.00   0.00
    33   1    -0.02  -0.04  -0.03    -0.01  -0.12  -0.15    -0.00  -0.00  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1212.1002              1222.8869              1236.8451
 Red. masses --      1.2524                 2.1670                 2.3708
 Frc consts  --      1.0841                 1.9093                 2.1368
 IR Inten    --      3.2496                 8.1453                 2.1454
 RamAct Fr= 1--     39.2067                34.1339                26.0700
  Dep-P Fr= 1--      0.0897                 0.1587                 0.1203
  Dep-U Fr= 1--      0.1646                 0.2739                 0.2148
 Alpha2 Fr= 1--      0.7039                 0.5161                 0.4342
 Beta2  Fr= 1--      1.0758                 1.5584                 0.9331
 AlphaG Fr= 1--     -0.2677                -0.1106                -0.1228
 Gamma2 Fr= 1--     -2.9626                -0.1251                -0.0748
 Delta2 Fr= 1--      1.1453                -0.5539                 0.2360
 Raman1 Fr= 1--     156.827                136.535                104.280
 ROA1   Fr= 1--    -247.758                -29.730                  0.372
 CID1   Fr= 1--      -1.580                 -0.218                  0.004
 Raman2 Fr= 1--      12.909                 18.701                 11.198
 ROA2   Fr= 1--     -80.265                  1.430                 -3.683
 CID2   Fr= 1--      -6.218                  0.076                 -0.329
 Raman3 Fr= 1--      25.819                 37.403                 22.395
 ROA3   Fr= 1--    -247.758                -29.730                  0.372
 CID3   Fr= 1--      -9.596                 -0.795                  0.017
 RC180  Fr= 1--      -0.671                 -0.452                 -0.570
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00   0.05    -0.09   0.01  -0.03     0.05  -0.00  -0.01
     2   6     0.04  -0.01  -0.01    -0.04   0.01   0.01     0.29  -0.04  -0.03
     3   6     0.02  -0.00   0.04     0.06  -0.01  -0.02    -0.07   0.00   0.06
     4   6    -0.09   0.01  -0.00     0.23  -0.02   0.00     0.05  -0.00   0.01
     5   6     0.01   0.00  -0.04     0.08  -0.01  -0.02    -0.08   0.01  -0.06
     6   6    -0.01   0.00  -0.04    -0.10   0.01   0.04     0.05  -0.00   0.01
     7   6    -0.02   0.00   0.00     0.02  -0.01  -0.00    -0.10   0.04   0.01
     8   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.01   0.01  -0.03
     9   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.02
    10   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.01   0.02
    11   6     0.04   0.00   0.00    -0.10  -0.01  -0.02     0.01  -0.01  -0.00
    12   6    -0.00  -0.01  -0.00    -0.00   0.03   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00  -0.01     0.01  -0.01   0.03     0.00  -0.00   0.01
    14   8     0.00   0.00   0.01    -0.01  -0.02  -0.03    -0.00  -0.00  -0.01
    15   1    -0.33   0.01   0.27    -0.41   0.03   0.18    -0.29   0.00   0.24
    16   1     0.50  -0.06   0.27    -0.00   0.00  -0.06    -0.39   0.04  -0.08
    17   1     0.38  -0.01  -0.29     0.21  -0.01  -0.10    -0.35   0.02   0.12
    18   1    -0.37   0.05  -0.21    -0.50   0.06  -0.13    -0.19   0.03  -0.11
    19   1    -0.03   0.00  -0.00     0.06   0.02  -0.02    -0.29  -0.05   0.03
    20   1    -0.06  -0.01   0.01     0.03   0.01   0.00    -0.46  -0.16   0.08
    21   1    -0.00  -0.01  -0.01     0.01  -0.01  -0.01    -0.07  -0.04  -0.03
    22   1    -0.01   0.00   0.00     0.01   0.00  -0.01    -0.05   0.02  -0.01
    23   1    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.05  -0.02  -0.02
    24   1     0.00   0.00  -0.00    -0.02   0.00   0.00    -0.01  -0.00  -0.04
    25   1     0.00   0.01   0.01     0.00   0.01   0.00    -0.02   0.04   0.04
    26   1    -0.00   0.01  -0.00     0.00   0.01   0.00    -0.00   0.00  -0.05
    27   1     0.00  -0.00  -0.01     0.00  -0.01  -0.01    -0.02  -0.00  -0.03
    28   1     0.20  -0.01   0.04    -0.53   0.01  -0.11    -0.14   0.02  -0.04
    29   6    -0.01  -0.00  -0.02     0.02   0.00   0.04    -0.00   0.00   0.01
    30   1    -0.01  -0.03  -0.05     0.03   0.11   0.17     0.01   0.04   0.06
    31   1     0.01  -0.03  -0.01    -0.02   0.11   0.03     0.01   0.01   0.01
    32   1    -0.01  -0.02   0.02     0.01   0.05  -0.03    -0.01  -0.02  -0.03
    33   1     0.03   0.03   0.02    -0.07  -0.08  -0.05     0.01  -0.01  -0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1247.5578              1280.2618              1309.1043
 Red. masses --      1.6163                 1.7494                 1.5903
 Frc consts  --      1.4822                 1.6894                 1.6058
 IR Inten    --      2.0550                 3.0947                 4.7538
 RamAct Fr= 1--      4.8493                 4.5011                 6.2996
  Dep-P Fr= 1--      0.5164                 0.5708                 0.5396
  Dep-U Fr= 1--      0.6811                 0.7267                 0.7009
 Alpha2 Fr= 1--      0.0221                 0.0152                 0.0255
 Beta2  Fr= 1--      0.5505                 0.5452                 0.7359
 AlphaG Fr= 1--      0.0088                -0.0107                -0.0470
 Gamma2 Fr= 1--      1.7749                 1.2370                -4.0660
 Delta2 Fr= 1--     -0.1189                -0.0445                -0.0702
 Raman1 Fr= 1--      19.397                 18.004                 25.198
 ROA1   Fr= 1--     166.588                117.325               -392.585
 CID1   Fr= 1--       8.588                  6.516                -15.580
 Raman2 Fr= 1--       6.606                  6.542                  8.831
 ROA2   Fr= 1--      43.549                 30.043                -97.023
 CID2   Fr= 1--       6.592                  4.592                -10.986
 Raman3 Fr= 1--      13.212                 13.085                 17.662
 ROA3   Fr= 1--     166.588                117.325               -392.585
 CID3   Fr= 1--      12.609                  8.967                -22.227
 RC180  Fr= 1--       0.362                  0.453                  0.402
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.00  -0.04    -0.04   0.00   0.01    -0.03   0.00   0.03
     2   6     0.04  -0.02   0.07     0.02  -0.01  -0.03    -0.00  -0.00  -0.03
     3   6    -0.03   0.00  -0.01     0.03  -0.00   0.05     0.03  -0.01   0.03
     4   6    -0.00  -0.00   0.04     0.07  -0.01  -0.12     0.01   0.01  -0.09
     5   6     0.01   0.00  -0.03    -0.01  -0.00   0.03    -0.02   0.00   0.03
     6   6    -0.02   0.01  -0.03     0.02  -0.00   0.04     0.03  -0.00   0.02
     7   6    -0.02   0.02  -0.05     0.00   0.01  -0.00     0.02   0.01  -0.00
     8   6     0.01  -0.06   0.14     0.00  -0.01   0.02     0.01   0.00  -0.00
     9   6     0.00   0.02  -0.05     0.00  -0.00  -0.00     0.00  -0.01   0.01
    10   6    -0.01   0.05  -0.08    -0.00   0.01  -0.01    -0.00   0.00  -0.01
    11   6     0.03  -0.01  -0.01    -0.14   0.06   0.02    -0.07  -0.06   0.02
    12   6    -0.01  -0.00   0.00     0.04   0.06   0.00     0.01  -0.12  -0.03
    13   8     0.00  -0.00   0.01    -0.02  -0.01  -0.04     0.01   0.02   0.05
    14   8    -0.00   0.00  -0.01     0.01  -0.02   0.04    -0.02   0.04  -0.04
    15   1     0.05  -0.01  -0.06     0.04  -0.00  -0.04     0.08  -0.01  -0.05
    16   1    -0.01   0.00  -0.00     0.09  -0.02   0.08     0.10  -0.01   0.06
    17   1    -0.02   0.00  -0.01    -0.24   0.00   0.19    -0.11   0.00   0.09
    18   1    -0.15   0.01  -0.10    -0.22   0.02  -0.07    -0.11   0.01  -0.04
    19   1    -0.41  -0.32   0.13    -0.18  -0.10   0.04    -0.14  -0.09   0.03
    20   1     0.36   0.35  -0.07     0.08   0.04  -0.02     0.01  -0.02  -0.01
    21   1    -0.03   0.15   0.25    -0.04   0.06   0.07    -0.10   0.03   0.07
    22   1     0.07  -0.09   0.07     0.00  -0.01   0.01    -0.01   0.01  -0.01
    23   1    -0.14   0.01   0.04    -0.00   0.00   0.00     0.02   0.00  -0.00
    24   1     0.11  -0.00   0.09     0.00   0.00   0.01    -0.03   0.01  -0.00
    25   1     0.01  -0.27  -0.20     0.00  -0.05  -0.04     0.01  -0.02  -0.02
    26   1    -0.01  -0.13   0.14    -0.00  -0.02   0.02    -0.00  -0.00   0.01
    27   1     0.07   0.07   0.20     0.01   0.01   0.03     0.01   0.00   0.01
    28   1    -0.08   0.03  -0.03     0.52  -0.34   0.18     0.28   0.54   0.05
    29   6    -0.01   0.00   0.01     0.05  -0.02  -0.01     0.03   0.02  -0.06
    30   1     0.01   0.03   0.04    -0.08  -0.28  -0.36     0.08   0.37   0.50
    31   1     0.03   0.01   0.01    -0.15   0.00  -0.04    -0.08  -0.11  -0.06
    32   1    -0.02  -0.04  -0.03     0.06   0.13   0.03     0.06   0.06   0.14
    33   1     0.03   0.01  -0.02    -0.14  -0.07   0.03    -0.02   0.09   0.13
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1319.0404              1349.7460              1363.6003
 Red. masses --      1.3480                 2.2011                 1.5733
 Frc consts  --      1.3818                 2.3626                 1.7236
 IR Inten    --      0.8518                 0.5430                 0.6094
 RamAct Fr= 1--     16.0590                 1.2065                11.4933
  Dep-P Fr= 1--      0.2980                 0.7490                 0.4767
  Dep-U Fr= 1--      0.4592                 0.8565                 0.6456
 Alpha2 Fr= 1--      0.1657                 0.0000                 0.0630
 Beta2  Fr= 1--      1.2289                 0.1722                 1.2368
 AlphaG Fr= 1--     -0.0402                 0.0041                -0.0780
 Gamma2 Fr= 1--      3.8251                -2.9339                 7.1156
 Delta2 Fr= 1--      0.2714                -0.7856                 4.7645
 Raman1 Fr= 1--      64.236                  4.826                 45.973
 ROA1   Fr= 1--     375.898               -306.795                835.563
 CID1   Fr= 1--       5.852                -63.569                 18.175
 Raman2 Fr= 1--      14.747                  2.067                 14.841
 ROA2   Fr= 1--      89.632                -64.130                132.659
 CID2   Fr= 1--       6.078                -31.030                  8.939
 Raman3 Fr= 1--      29.494                  4.133                 29.682
 ROA3   Fr= 1--     375.898               -306.795                835.563
 CID3   Fr= 1--      12.745                -74.223                 28.150
 RC180  Fr= 1--      -0.082                  0.713                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00  -0.01     0.06  -0.00  -0.06     0.08  -0.00  -0.05
     2   6     0.05   0.02   0.02     0.00  -0.01   0.19    -0.01  -0.00  -0.00
     3   6    -0.02  -0.00   0.01    -0.12   0.01  -0.06    -0.03   0.00  -0.01
     4   6     0.01   0.00  -0.01     0.02  -0.00   0.07     0.03  -0.01   0.11
     5   6    -0.00   0.00  -0.01     0.11  -0.01  -0.07     0.04  -0.00  -0.01
     6   6     0.01  -0.00   0.00    -0.08   0.01  -0.04    -0.10   0.01  -0.03
     7   6    -0.11  -0.06   0.03    -0.01  -0.00  -0.06     0.05   0.02   0.02
     8   6    -0.04  -0.04   0.03     0.04   0.08  -0.00    -0.04  -0.05  -0.01
     9   6    -0.01   0.04  -0.05    -0.00  -0.03   0.01     0.01   0.01  -0.00
    10   6     0.02  -0.01   0.01    -0.00  -0.03   0.02     0.01   0.02  -0.01
    11   6    -0.02  -0.01   0.00    -0.04  -0.02  -0.01    -0.08  -0.03  -0.02
    12   6     0.00  -0.01  -0.00     0.00   0.00   0.00     0.01   0.02   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01   0.02  -0.01     0.19  -0.00  -0.14    -0.33   0.01   0.23
    16   1     0.01   0.00   0.03     0.35  -0.04   0.15    -0.22   0.03  -0.09
    17   1    -0.12   0.01   0.07    -0.32   0.02   0.23     0.19  -0.00  -0.11
    18   1    -0.11   0.02  -0.05    -0.17   0.03  -0.08     0.33  -0.05   0.17
    19   1     0.42   0.33  -0.14     0.18  -0.00   0.01    -0.05  -0.02   0.02
    20   1     0.29   0.24  -0.03    -0.24   0.01   0.07    -0.14  -0.18   0.02
    21   1     0.57   0.00  -0.25    -0.24  -0.46  -0.09     0.20   0.31   0.02
    22   1     0.07  -0.08   0.07     0.01   0.06  -0.05    -0.01  -0.03   0.02
    23   1    -0.14  -0.02   0.01     0.04   0.06   0.02    -0.03  -0.05  -0.01
    24   1     0.17  -0.03   0.04    -0.07   0.01   0.01     0.02  -0.00  -0.02
    25   1    -0.05   0.05   0.06     0.04   0.07   0.03    -0.05  -0.05  -0.01
    26   1     0.01  -0.01   0.00    -0.00   0.05  -0.07    -0.00  -0.04   0.03
    27   1    -0.04   0.02   0.01     0.00  -0.05  -0.08    -0.02   0.03   0.01
    28   1     0.10   0.07   0.02     0.26   0.09   0.05     0.53   0.17   0.10
    29   6     0.01   0.00  -0.01     0.01   0.01  -0.01     0.02   0.00  -0.02
    30   1     0.01   0.04   0.06    -0.00   0.00   0.01    -0.01  -0.01  -0.01
    31   1    -0.03  -0.02  -0.01    -0.05  -0.03  -0.02    -0.06  -0.02  -0.04
    32   1     0.01   0.01   0.02     0.01   0.01   0.00     0.04   0.04   0.06
    33   1    -0.01   0.01   0.02    -0.02   0.01   0.02    -0.04   0.04   0.08
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1372.4887              1374.8686              1392.4356
 Red. masses --      1.4759                 1.3048                 1.9967
 Frc consts  --      1.6380                 1.4532                 2.2810
 IR Inten    --      0.4914                 4.3905                41.8845
 RamAct Fr= 1--      2.6035                14.3209                 4.6942
  Dep-P Fr= 1--      0.2401                 0.5620                 0.7424
  Dep-U Fr= 1--      0.3872                 0.7196                 0.8522
 Alpha2 Fr= 1--      0.0317                 0.0511                 0.0006
 Beta2  Fr= 1--      0.1680                 1.7175                 0.6667
 AlphaG Fr= 1--     -0.1408                -0.0913                -0.0072
 Gamma2 Fr= 1--     -2.4027                -4.7639                 1.3214
 Delta2 Fr= 1--     -0.4003                 1.0450                -1.7607
 Raman1 Fr= 1--      10.414                 57.283                 18.777
 ROA1   Fr= 1--    -243.469               -423.892                 70.511
 CID1   Fr= 1--     -23.379                 -7.400                  3.755
 Raman2 Fr= 1--       2.016                 20.610                  8.001
 ROA2   Fr= 1--     -54.463               -122.693                 45.799
 CID2   Fr= 1--     -27.012                 -5.953                  5.724
 Raman3 Fr= 1--       4.032                 41.220                 16.001
 ROA3   Fr= 1--    -243.469               -423.892                 70.511
 CID3   Fr= 1--     -60.378                -10.284                  4.407
 RC180  Fr= 1--      -0.226                  0.439                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00   0.01    -0.01   0.00   0.02    -0.04   0.00   0.01
     2   6    -0.02  -0.01  -0.01    -0.01  -0.01   0.05    -0.00   0.00   0.00
     3   6     0.01  -0.00  -0.00    -0.03   0.01  -0.02     0.02  -0.01  -0.00
     4   6    -0.00   0.00  -0.01    -0.01   0.00  -0.03    -0.00   0.02  -0.02
     5   6    -0.00   0.00   0.01     0.03  -0.00  -0.02    -0.01   0.00  -0.00
     6   6     0.01   0.00   0.00     0.01  -0.00   0.01     0.03  -0.00   0.01
     7   6     0.09   0.03  -0.03     0.06   0.03   0.01     0.00   0.00  -0.00
     8   6    -0.12   0.07   0.08    -0.05  -0.09  -0.04    -0.01  -0.00  -0.00
     9   6    -0.00  -0.01  -0.05     0.01   0.02   0.00    -0.00   0.00  -0.00
    10   6     0.04  -0.01   0.03     0.00   0.03  -0.02     0.00   0.00   0.00
    11   6     0.01   0.01   0.00     0.03   0.01   0.01     0.02  -0.17   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.01  -0.00    -0.04   0.20   0.06
    13   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.03  -0.02
    14   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.06   0.01
    15   1     0.05  -0.01  -0.03     0.20  -0.02  -0.13     0.09  -0.00  -0.07
    16   1     0.03  -0.01   0.01     0.26  -0.04   0.11     0.02   0.03  -0.00
    17   1     0.01  -0.00  -0.00    -0.20   0.01   0.14    -0.02   0.01   0.00
    18   1    -0.01  -0.01  -0.01    -0.19   0.01  -0.08    -0.12   0.01  -0.06
    19   1    -0.35  -0.28   0.11     0.11   0.03   0.03     0.00  -0.01   0.01
    20   1    -0.19  -0.15   0.03    -0.34  -0.34   0.04    -0.03  -0.03   0.00
    21   1     0.51  -0.31  -0.40     0.24   0.57   0.10     0.02   0.03  -0.00
    22   1     0.14  -0.04   0.01    -0.04  -0.03   0.03     0.01  -0.00   0.00
    23   1    -0.03   0.08   0.01    -0.06  -0.10  -0.02    -0.00  -0.00  -0.00
    24   1     0.09  -0.00   0.11     0.00   0.00  -0.07     0.00  -0.00  -0.00
    25   1    -0.06  -0.09   0.04    -0.06  -0.06  -0.02    -0.00  -0.01  -0.00
    26   1    -0.01  -0.13  -0.18     0.00  -0.03   0.07    -0.00  -0.01  -0.00
    27   1    -0.07  -0.02  -0.19    -0.02   0.06   0.06     0.00  -0.00  -0.01
    28   1    -0.06  -0.03  -0.01    -0.19  -0.08  -0.03    -0.09   0.76  -0.04
    29   6    -0.00  -0.00   0.00    -0.01   0.00   0.01     0.01   0.05  -0.03
    30   1     0.00   0.01   0.01     0.01   0.02   0.02    -0.06  -0.27  -0.35
    31   1     0.01   0.01   0.00     0.01  -0.00   0.01     0.03  -0.22  -0.02
    32   1    -0.00  -0.00  -0.01    -0.01  -0.02  -0.04     0.02  -0.13   0.14
    33   1     0.00  -0.00  -0.01     0.01  -0.02  -0.04    -0.06   0.03  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1403.4180              1415.8887              1422.9673
 Red. masses --      1.2576                 1.2215                 1.2351
 Frc consts  --      1.4593                 1.4428                 1.4735
 IR Inten    --      5.8724                10.8553                 6.6039
 RamAct Fr= 1--      0.2005                 0.7718                 0.9286
  Dep-P Fr= 1--      0.2940                 0.6433                 0.5702
  Dep-U Fr= 1--      0.4545                 0.7829                 0.7263
 Alpha2 Fr= 1--      0.0021                 0.0015                 0.0032
 Beta2  Fr= 1--      0.0152                 0.1007                 0.1124
 AlphaG Fr= 1--     -0.0044                -0.0000                -0.0047
 Gamma2 Fr= 1--     -0.0265                 0.0282                -0.1526
 Delta2 Fr= 1--     -0.0041                 0.0721                 0.0926
 Raman1 Fr= 1--       0.802                  3.087                  3.714
 ROA1   Fr= 1--      -2.671                  5.010                -11.683
 CID1   Fr= 1--      -3.331                  1.623                 -3.145
 Raman2 Fr= 1--       0.182                  1.208                  1.349
 ROA2   Fr= 1--      -0.602                  0.100                 -4.402
 CID2   Fr= 1--      -3.303                  0.082                 -3.264
 Raman3 Fr= 1--       0.364                  2.417                  2.698
 ROA3   Fr= 1--      -2.671                  5.010                -11.683
 CID3   Fr= 1--      -7.330                  2.073                 -4.331
 RC180  Fr= 1--      -0.091                  0.566                  0.453
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00    -0.01   0.00  -0.00     0.00   0.00   0.00
     2   6     0.00   0.00   0.00     0.00  -0.00   0.01    -0.00  -0.00   0.00
     3   6    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00  -0.00
     6   6    -0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.01   0.00   0.01     0.00   0.00  -0.00     0.02   0.01  -0.01
     8   6     0.02  -0.02  -0.02    -0.00  -0.00  -0.00    -0.00   0.01   0.01
     9   6    -0.10   0.02   0.03     0.00   0.00   0.00    -0.09   0.01   0.01
    10   6    -0.02   0.07   0.07    -0.00   0.00   0.00     0.01  -0.07  -0.08
    11   6     0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.02   0.01    -0.00   0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    15   1     0.00  -0.00  -0.00     0.02  -0.00  -0.03    -0.00  -0.00   0.00
    16   1     0.01  -0.00   0.01    -0.02   0.00  -0.01     0.01  -0.00   0.00
    17   1    -0.01   0.00   0.01    -0.03  -0.01   0.01    -0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00    -0.04   0.01  -0.02     0.00  -0.00   0.00
    19   1     0.06   0.04  -0.01     0.02   0.00   0.00    -0.09  -0.03  -0.00
    20   1     0.01  -0.01  -0.01    -0.02  -0.01   0.00    -0.07  -0.01   0.03
    21   1    -0.06   0.06   0.06     0.00   0.01   0.00     0.02  -0.01  -0.01
    22   1     0.40   0.07   0.07     0.00   0.00   0.00     0.37   0.05   0.06
    23   1     0.37  -0.03  -0.24    -0.00  -0.00  -0.00     0.33   0.04  -0.20
    24   1     0.35  -0.23  -0.07    -0.00  -0.00  -0.00     0.32  -0.20   0.01
    25   1     0.14  -0.31  -0.17     0.00  -0.00  -0.00    -0.12   0.37   0.16
    26   1    -0.11  -0.24  -0.26    -0.00  -0.00  -0.00     0.12   0.26   0.29
    27   1     0.15  -0.13  -0.31     0.00  -0.00  -0.00    -0.12   0.13   0.38
    28   1    -0.00  -0.01  -0.00    -0.02   0.05  -0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.06  -0.11  -0.05    -0.00  -0.00  -0.00
    30   1     0.00   0.00   0.00    -0.00  -0.03  -0.04    -0.00  -0.00  -0.00
    31   1    -0.00  -0.00   0.00     0.30   0.50  -0.01     0.00   0.00  -0.00
    32   1    -0.00  -0.00  -0.00     0.04   0.47   0.25     0.00   0.00   0.00
    33   1    -0.00  -0.00  -0.00     0.34   0.28   0.39     0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1460.0736              1485.4746              1490.3400
 Red. masses --      2.4874                 1.0756                 1.0459
 Frc consts  --      3.1243                 1.3985                 1.3687
 IR Inten    --      8.5231                 0.4986                 1.9538
 RamAct Fr= 1--      0.4007                 1.7456                13.3915
  Dep-P Fr= 1--      0.5681                 0.6962                 0.7270
  Dep-U Fr= 1--      0.7245                 0.8209                 0.8419
 Alpha2 Fr= 1--      0.0014                 0.0016                 0.0053
 Beta2  Fr= 1--      0.0484                 0.2388                 1.8791
 AlphaG Fr= 1--      0.0140                -0.0247                 0.0107
 Gamma2 Fr= 1--      2.6291                -1.4416                -2.7179
 Delta2 Fr= 1--     -1.3150                 0.2427                 0.9024
 Raman1 Fr= 1--       1.603                  6.982                 53.566
 ROA1   Fr= 1--     210.309               -130.630               -232.037
 CID1   Fr= 1--     131.224                -18.708                 -4.332
 Raman2 Fr= 1--       0.581                  2.866                 22.550
 ROA2   Fr= 1--      73.618                -36.540                -72.448
 CID2   Fr= 1--     126.797                -12.750                 -3.213
 Raman3 Fr= 1--       1.161                  5.732                 45.099
 ROA3   Fr= 1--     210.309               -130.630               -232.037
 CID3   Fr= 1--     181.115                -22.790                 -5.145
 RC180  Fr= 1--       0.449                  0.642                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.14   0.02  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.02  -0.01   0.15     0.01   0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.14  -0.01  -0.04    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.01  -0.01   0.15     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.14   0.01  -0.02    -0.00   0.00   0.00    -0.00   0.00  -0.00
     6   6     0.13  -0.01  -0.05    -0.00  -0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.01  -0.04    -0.05   0.04  -0.00     0.02  -0.02   0.00
     8   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.00   0.01
     9   6    -0.00   0.00   0.01    -0.01  -0.03  -0.00     0.00  -0.02   0.03
    10   6     0.00  -0.00   0.00     0.03   0.01  -0.01    -0.01   0.03  -0.02
    11   6    -0.04   0.01  -0.04     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00  -0.02  -0.01     0.00   0.00  -0.00     0.00  -0.00  -0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    14   8    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1     0.23  -0.00  -0.30    -0.02   0.00   0.01     0.01   0.00  -0.01
    16   1    -0.32   0.05  -0.27    -0.00   0.00   0.00    -0.00   0.00  -0.00
    17   1     0.25   0.00  -0.31    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1    -0.27   0.04  -0.24    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    19   1     0.19  -0.01   0.05     0.26  -0.21   0.30    -0.10   0.09  -0.12
    20   1    -0.21  -0.12   0.01     0.20  -0.32  -0.26    -0.08   0.13   0.11
    21   1     0.01   0.03   0.00    -0.03  -0.01   0.02     0.05  -0.01  -0.03
    22   1     0.04   0.02  -0.00    -0.14   0.18  -0.20     0.07   0.39  -0.32
    23   1    -0.02  -0.04  -0.01     0.05   0.37   0.14    -0.21   0.12   0.20
    24   1    -0.01  -0.01  -0.06     0.21  -0.10   0.11     0.10  -0.17  -0.37
    25   1     0.01  -0.01  -0.01    -0.31  -0.18   0.08    -0.16   0.16   0.11
    26   1     0.00   0.04  -0.02     0.06   0.04   0.23    -0.03  -0.37   0.23
    27   1    -0.03   0.02   0.01    -0.16   0.03  -0.23     0.33  -0.15   0.00
    28   1     0.35  -0.07   0.05    -0.01   0.00  -0.00     0.00  -0.00   0.00
    29   6     0.01   0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.03   0.03    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    31   1    -0.08  -0.00  -0.01     0.01  -0.00   0.00    -0.01   0.00  -0.00
    32   1    -0.00  -0.03  -0.06     0.00  -0.00   0.01    -0.00   0.00  -0.01
    33   1    -0.04  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1492.1956              1497.5520              1498.7994
 Red. masses --      1.0467                 1.0749                 1.0560
 Frc consts  --      1.3731                 1.4203                 1.3976
 IR Inten    --      4.6917                 4.4608                 6.8012
 RamAct Fr= 1--      6.7695                 3.6326                 5.9026
  Dep-P Fr= 1--      0.6303                 0.7433                 0.6865
  Dep-U Fr= 1--      0.7733                 0.8527                 0.8141
 Alpha2 Fr= 1--      0.0147                 0.0004                 0.0066
 Beta2  Fr= 1--      0.8724                 0.5163                 0.8009
 AlphaG Fr= 1--      0.0165                -0.0021                 0.0606
 Gamma2 Fr= 1--     -0.8787                -1.9744                 1.7072
 Delta2 Fr= 1--     -1.2460                 0.3439                 1.4634
 Raman1 Fr= 1--      27.078                 14.531                 23.610
 ROA1   Fr= 1--    -124.231               -178.536                210.720
 CID1   Fr= 1--      -4.588                -12.287                  8.925
 Raman2 Fr= 1--      10.469                  6.195                  9.611
 ROA2   Fr= 1--     -11.122                -50.136                 29.265
 CID2   Fr= 1--      -1.062                 -8.093                  3.045
 Raman3 Fr= 1--      20.938                 12.391                 19.222
 ROA3   Fr= 1--    -124.231               -178.536                210.720
 CID3   Fr= 1--      -5.933                -14.409                 10.963
 RC180  Fr= 1--       0.547                  0.705                  0.628
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.01     0.01  -0.00  -0.00    -0.00   0.00  -0.00
     2   6     0.01  -0.00  -0.00     0.01   0.01  -0.01    -0.00  -0.00   0.01
     3   6    -0.01   0.00  -0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.01     0.00  -0.00   0.00
     5   6    -0.01  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
     6   6    -0.00   0.00  -0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00   0.00   0.00    -0.04   0.04  -0.01     0.01  -0.01  -0.00
     8   6    -0.00   0.00   0.00    -0.02   0.01   0.02     0.00  -0.00  -0.00
     9   6     0.00   0.00   0.00     0.01   0.01   0.02    -0.00  -0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.03  -0.02  -0.00     0.01   0.00   0.00
    11   6     0.02  -0.00  -0.01    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    12   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.01  -0.01
    13   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.01
    14   8     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    15   1     0.02  -0.00  -0.01    -0.03  -0.00   0.02     0.00   0.00  -0.01
    16   1     0.03  -0.00   0.01     0.00  -0.00   0.01    -0.01  -0.00  -0.01
    17   1     0.02   0.00  -0.01    -0.00  -0.00   0.01    -0.01  -0.01   0.00
    18   1     0.02  -0.00   0.01     0.01  -0.00   0.01    -0.00   0.00  -0.01
    19   1     0.00  -0.00   0.00     0.21  -0.26   0.32    -0.04   0.06  -0.07
    20   1     0.00  -0.00  -0.00     0.20  -0.32  -0.26    -0.05   0.07   0.06
    21   1     0.00  -0.00  -0.00     0.04  -0.06  -0.04    -0.01   0.01   0.01
    22   1     0.00  -0.00   0.00     0.19   0.08  -0.02    -0.03  -0.01   0.00
    23   1    -0.00  -0.00  -0.00    -0.16  -0.23  -0.01     0.02   0.04   0.00
    24   1    -0.00   0.00  -0.00    -0.10  -0.03  -0.31     0.01   0.00   0.05
    25   1     0.00   0.00   0.00     0.30   0.23  -0.06    -0.06  -0.05   0.01
    26   1    -0.00  -0.00  -0.00    -0.05  -0.04  -0.21     0.01   0.01   0.04
    27   1     0.00  -0.00   0.00     0.17  -0.03   0.27    -0.04   0.01  -0.06
    28   1    -0.06  -0.03  -0.03    -0.01  -0.02  -0.00     0.02  -0.09  -0.01
    29   6     0.04  -0.00  -0.03    -0.01   0.01  -0.01    -0.02   0.02  -0.03
    30   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.01   0.01
    31   1    -0.17   0.48  -0.07     0.13  -0.02   0.02     0.60  -0.08   0.10
    32   1    -0.00  -0.48   0.04     0.01  -0.03   0.13     0.06  -0.16   0.63
    33   1    -0.49   0.06   0.50    -0.06  -0.04  -0.04    -0.30  -0.17  -0.17
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1504.2162              1511.1605              1551.6654
 Red. masses --      1.0529                 1.0509                 2.4396
 Frc consts  --      1.4036                 1.4139                 3.4607
 IR Inten    --      4.4911                12.5518                25.7721
 RamAct Fr= 1--     10.7155                 1.0728                 0.2505
  Dep-P Fr= 1--      0.7333                 0.5024                 0.5565
  Dep-U Fr= 1--      0.8461                 0.6688                 0.7150
 Alpha2 Fr= 1--      0.0031                 0.0052                 0.0009
 Beta2  Fr= 1--      1.5111                 0.1196                 0.0299
 AlphaG Fr= 1--     -0.0152                 0.0075                -0.0048
 Gamma2 Fr= 1--      1.0581                 1.8051                 0.1035
 Delta2 Fr= 1--     -0.2349                 0.3958                 0.2433
 Raman1 Fr= 1--      42.862                  4.291                  1.002
 ROA1   Fr= 1--      94.059                185.960                 17.723
 CID1   Fr= 1--       2.194                 43.333                 17.687
 Raman2 Fr= 1--      18.133                  1.435                  0.358
 ROA2   Fr= 1--      27.273                 40.157                  0.538
 CID2   Fr= 1--       1.504                 27.983                  1.503
 Raman3 Fr= 1--      36.266                  2.870                  0.717
 ROA3   Fr= 1--      94.059                185.960                 17.723
 CID3   Fr= 1--       2.594                 64.791                 24.736
 RC180  Fr= 1--       0.692                  0.338                  0.430
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.08   0.00   0.10
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.16  -0.01  -0.01
     3   6     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.10   0.02  -0.09
     4   6     0.00  -0.00   0.01    -0.00   0.00  -0.00     0.15  -0.01  -0.02
     5   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.09   0.00   0.12
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00    -0.10   0.02  -0.10
     7   6     0.00   0.01   0.00     0.02  -0.01  -0.00    -0.03   0.00   0.00
     8   6    -0.03  -0.02  -0.02    -0.01  -0.04   0.02    -0.00  -0.01   0.00
     9   6     0.00  -0.02  -0.03    -0.00  -0.02   0.01     0.00   0.00  -0.00
    10   6    -0.03   0.01   0.00    -0.00  -0.02   0.03     0.00  -0.00   0.00
    11   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.03  -0.00   0.01
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    13   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    14   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.00  -0.01    -0.01  -0.00   0.01     0.38  -0.02  -0.20
    16   1    -0.00   0.00  -0.00    -0.01   0.00   0.00     0.41  -0.05   0.13
    17   1     0.00   0.00  -0.01    -0.01   0.00   0.01     0.44  -0.02  -0.24
    18   1    -0.01   0.00  -0.01    -0.00  -0.00  -0.00     0.45  -0.05   0.14
    19   1     0.03   0.01   0.01    -0.08   0.06  -0.09    -0.04   0.02  -0.01
    20   1    -0.03  -0.04  -0.01    -0.04   0.10   0.07    -0.05   0.02   0.02
    21   1     0.02   0.05  -0.01     0.05   0.06   0.04     0.01   0.00  -0.00
    22   1    -0.31  -0.07  -0.03    -0.04   0.31  -0.28    -0.01   0.01  -0.01
    23   1     0.21   0.41   0.06    -0.12   0.25   0.19    -0.00   0.01   0.01
    24   1     0.20   0.01   0.44     0.17  -0.15  -0.16     0.02  -0.01  -0.00
    25   1     0.28   0.29  -0.03     0.32  -0.12  -0.18     0.00  -0.01  -0.00
    26   1    -0.09  -0.23  -0.17     0.01   0.40  -0.37     0.00   0.02  -0.01
    27   1     0.33  -0.10   0.27    -0.31   0.17   0.13    -0.02   0.01   0.00
    28   1     0.01  -0.00   0.00    -0.00   0.00  -0.00    -0.04   0.02  -0.00
    29   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01  -0.00   0.00
    30   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.02  -0.04   0.01
    32   1     0.00  -0.00   0.02    -0.00  -0.00  -0.00     0.00   0.06   0.01
    33   1    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.05  -0.00  -0.04
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1618.4302              1658.3243              1805.7836
 Red. masses --      6.0491                 5.7940                 9.5413
 Frc consts  --      9.3353                 9.3879                18.3312
 IR Inten    --      0.2512                 1.2424               272.4996
 RamAct Fr= 1--      1.7663               115.6844                13.7765
  Dep-P Fr= 1--      0.7355                 0.4787                 0.1642
  Dep-U Fr= 1--      0.8476                 0.6475                 0.2822
 Alpha2 Fr= 1--      0.0004                 0.6289                 0.2054
 Beta2  Fr= 1--      0.2495                12.4836                 0.6479
 AlphaG Fr= 1--     -0.0159                -0.6263                -0.4505
 Gamma2 Fr= 1--      0.1815                -6.6068                -1.8153
 Delta2 Fr= 1--     -0.0246                 0.0170                 0.8323
 Raman1 Fr= 1--       7.065                462.737                 55.106
 ROA1   Fr= 1--      16.634               -633.707               -147.635
 CID1   Fr= 1--       2.354                 -1.369                 -2.679
 Raman2 Fr= 1--       2.994                149.803                  7.774
 ROA2   Fr= 1--       4.551               -158.699                -50.226
 CID2   Fr= 1--       1.520                 -1.059                 -6.461
 Raman3 Fr= 1--       5.988                299.606                 15.548
 ROA3   Fr= 1--      16.634               -633.707               -147.635
 CID3   Fr= 1--       2.778                 -2.115                 -9.495
 RC180  Fr= 1--       0.695                  0.295                 -0.436
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09   0.01  -0.22     0.27  -0.02  -0.11    -0.01   0.00   0.00
     2   6     0.01  -0.02   0.35    -0.21   0.02   0.03     0.00  -0.00   0.00
     3   6     0.12  -0.03   0.21    -0.28   0.03  -0.06     0.01  -0.00   0.00
     4   6    -0.04   0.03  -0.35     0.19  -0.02  -0.01    -0.02   0.00  -0.00
     5   6    -0.07  -0.01   0.21    -0.28   0.02   0.10     0.01   0.00   0.00
     6   6    -0.11   0.02  -0.19     0.30  -0.03   0.05    -0.01   0.00  -0.01
     7   6     0.01   0.00  -0.04     0.03  -0.01  -0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.01     0.01   0.01  -0.00     0.00  -0.00   0.00
     9   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.02  -0.01   0.04    -0.02  -0.00   0.00    -0.01   0.03  -0.05
    12   6     0.00   0.01  -0.01     0.00   0.01   0.02     0.23  -0.14   0.65
    13   8     0.00  -0.00   0.01    -0.00  -0.00  -0.01    -0.14   0.06  -0.42
    14   8     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.01  -0.06
    15   1    -0.32   0.03   0.05    -0.25   0.01   0.26     0.00   0.00  -0.01
    16   1    -0.33   0.03   0.01     0.28  -0.04   0.20    -0.02   0.01  -0.01
    17   1     0.28  -0.02  -0.02     0.28  -0.01  -0.29     0.02  -0.02  -0.01
    18   1     0.28  -0.02  -0.02    -0.31   0.04  -0.23     0.02  -0.00   0.01
    19   1     0.16   0.04  -0.02     0.03   0.01  -0.01     0.00   0.00   0.00
    20   1    -0.23  -0.02   0.07     0.01   0.00   0.01    -0.00  -0.00  -0.00
    21   1    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    22   1    -0.02  -0.01   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   1     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    24   1     0.01   0.00   0.02    -0.01   0.01   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   1    -0.00  -0.01   0.01    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    27   1     0.01  -0.01   0.00     0.01  -0.01  -0.01     0.00  -0.00   0.00
    28   1    -0.27   0.03  -0.03    -0.02   0.01  -0.00    -0.11   0.20  -0.06
    29   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    30   1    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.07   0.27   0.37
    31   1    -0.02  -0.02  -0.00     0.02  -0.00   0.00     0.02  -0.05   0.02
    32   1    -0.00   0.01  -0.02    -0.00   0.03   0.01     0.02  -0.03   0.02
    33   1     0.02   0.00   0.00     0.02   0.00  -0.00    -0.06  -0.07  -0.08
                     76                     77                     78
                      A                      A                      A
 Frequencies --   3003.9853              3018.4685              3020.1949
 Red. masses --      1.0811                 1.0503                 1.0404
 Frc consts  --      5.7477                 5.6383                 5.5912
 IR Inten    --      3.0440                 8.8326                41.0008
 RamAct Fr= 1--    141.3997                14.2018                23.1562
  Dep-P Fr= 1--      0.1986                 0.6243                 0.3171
  Dep-U Fr= 1--      0.3313                 0.7687                 0.4815
 Alpha2 Fr= 1--      1.9276                 0.0326                 0.2255
 Beta2  Fr= 1--      7.8081                 1.8194                 1.8583
 AlphaG Fr= 1--     -0.9393                -0.1324                 0.2342
 Gamma2 Fr= 1--    -10.4914                 5.8786                -0.0700
 Delta2 Fr= 1--     -5.9699                 2.3530                 2.8390
 Raman1 Fr= 1--     565.599                 56.807                 92.625
 ROA1   Fr= 1--   -1198.212                639.642                 84.127
 CID1   Fr= 1--      -2.118                 11.260                  0.908
 Raman2 Fr= 1--      93.698                 21.833                 22.299
 ROA2   Fr= 1--    -204.034                122.262                -24.393
 CID2   Fr= 1--      -2.178                  5.600                 -1.094
 Raman3 Fr= 1--     187.395                 43.666                 44.598
 ROA3   Fr= 1--   -1198.212                639.642                 84.127
 CID3   Fr= 1--      -6.394                 14.648                  1.886
 RC180  Fr= 1--      -0.337                  0.537                 -0.037
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.01  -0.01   0.01    -0.03   0.04  -0.00     0.01  -0.02   0.00
     8   6    -0.03   0.03  -0.06    -0.00   0.00  -0.01    -0.00   0.00   0.00
     9   6     0.00  -0.00   0.01     0.03  -0.01   0.00     0.03  -0.01   0.00
    10   6     0.01  -0.00   0.01     0.00  -0.00   0.00    -0.01  -0.01  -0.03
    11   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.00  -0.00   0.00
    16   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1     0.00   0.00  -0.01    -0.00   0.00   0.01     0.00  -0.00  -0.00
    19   1    -0.00   0.01   0.02     0.12  -0.35  -0.42    -0.06   0.16   0.19
    20   1    -0.10   0.09  -0.21     0.21  -0.18   0.45    -0.10   0.09  -0.23
    21   1     0.39  -0.34   0.78     0.04  -0.04   0.08     0.00  -0.00   0.00
    22   1     0.00  -0.03  -0.03    -0.04   0.21   0.25    -0.03   0.19   0.22
    23   1    -0.06   0.05  -0.11    -0.19   0.16  -0.36    -0.17   0.14  -0.33
    24   1     0.01   0.03  -0.00    -0.12  -0.25   0.07    -0.12  -0.26   0.07
    25   1    -0.07   0.06  -0.16    -0.03   0.03  -0.06     0.22  -0.19   0.47
    26   1     0.00  -0.01   0.00     0.02  -0.01  -0.00    -0.29   0.05   0.03
    27   1     0.01   0.00  -0.00    -0.01  -0.02   0.01     0.16   0.31  -0.09
    28   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   1     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
                     79                     80                     81
                      A                      A                      A
 Frequencies --   3026.7509              3047.3436              3056.3047
 Red. masses --      1.0439                 1.0356                 1.1034
 Frc consts  --      5.6349                 5.6659                 6.0725
 IR Inten    --     49.9365                25.4584                15.5849
 RamAct Fr= 1--    410.1563               218.3243                28.9878
  Dep-P Fr= 1--      0.0085                 0.0603                 0.7266
  Dep-U Fr= 1--      0.0168                 0.1137                 0.8417
 Alpha2 Fr= 1--      8.9356                 4.2083                 0.0116
 Beta2  Fr= 1--      1.1508                 4.1361                 4.0663
 AlphaG Fr= 1--      1.2378                -0.2986                 0.1451
 Gamma2 Fr= 1--      1.2195                 0.8460                 1.8582
 Delta2 Fr= 1--      0.0013                 3.2979                -1.0094
 Raman1 Fr= 1--    1640.625                873.297                115.951
 ROA1   Fr= 1--     117.110                186.745                146.086
 CID1   Fr= 1--       0.071                  0.214                  1.260
 Raman2 Fr= 1--      13.810                 49.633                 48.795
 ROA2   Fr= 1--      29.257                 -6.080                 52.672
 CID2   Fr= 1--       2.119                 -0.122                  1.079
 Raman3 Fr= 1--      27.620                 99.267                 97.590
 ROA3   Fr= 1--     117.110                186.745                146.086
 CID3   Fr= 1--       4.240                  1.881                  1.497
 RC180  Fr= 1--      -0.966                 -0.773                  0.683
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     7   6    -0.02   0.03   0.00     0.00  -0.00   0.00    -0.01  -0.01  -0.09
     8   6    -0.01   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   6    -0.03   0.01   0.00     0.00  -0.00   0.00     0.00   0.00   0.02
    10   6    -0.01  -0.02  -0.03    -0.00  -0.00   0.00     0.00  -0.01   0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    14   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    15   1    -0.01   0.00  -0.01     0.00  -0.00   0.00    -0.01   0.00  -0.01
    16   1    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.01  -0.00  -0.01
    19   1     0.08  -0.24  -0.28    -0.00   0.00   0.00    -0.15   0.43   0.49
    20   1     0.10  -0.10   0.23    -0.00   0.00  -0.00     0.28  -0.26   0.59
    21   1     0.08  -0.07   0.16    -0.00   0.00  -0.00     0.06  -0.05   0.12
    22   1     0.04  -0.20  -0.23    -0.00   0.00   0.00     0.01  -0.08  -0.09
    23   1     0.15  -0.12   0.28    -0.00   0.00  -0.00    -0.04   0.04  -0.08
    24   1     0.12   0.25  -0.07    -0.00  -0.00   0.00     0.02   0.04  -0.00
    25   1     0.20  -0.17   0.42    -0.00   0.00  -0.00    -0.02   0.01  -0.03
    26   1    -0.28   0.05   0.04     0.00  -0.00  -0.00    -0.05   0.01   0.01
    27   1     0.15   0.30  -0.09    -0.00  -0.00   0.00     0.04   0.07  -0.02
    28   1     0.00  -0.00  -0.00    -0.01   0.00   0.04     0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.03  -0.04  -0.01    -0.00   0.00   0.00
    30   1     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    31   1    -0.00   0.00   0.00    -0.09   0.01   0.45     0.00  -0.00  -0.00
    32   1     0.00  -0.00  -0.00     0.66  -0.06  -0.10     0.00  -0.00  -0.00
    33   1    -0.00   0.00  -0.00    -0.19   0.48  -0.25     0.00  -0.00   0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3070.8342              3077.6546              3084.2027
 Red. masses --      1.0840                 1.0993                 1.0993
 Frc consts  --      6.0228                 6.1350                 6.1609
 IR Inten    --      6.7788                10.3502                56.1302
 RamAct Fr= 1--     67.3628                23.2140               114.9729
  Dep-P Fr= 1--      0.2050                 0.7313                 0.4613
  Dep-U Fr= 1--      0.3402                 0.8448                 0.6313
 Alpha2 Fr= 1--      0.9028                 0.0074                 0.6731
 Beta2  Fr= 1--      3.8196                 3.2685                12.0978
 AlphaG Fr= 1--      0.0024                 0.0288                 1.2466
 Gamma2 Fr= 1--     -1.5590                10.2751                -5.4568
 Delta2 Fr= 1--     -3.4369                -4.3501                16.0808
 Raman1 Fr= 1--     269.451                 92.856                459.891
 ROA1   Fr= 1--    -259.640                847.208                 -9.272
 CID1   Fr= 1--      -0.964                  9.124                 -0.020
 Raman2 Fr= 1--      45.836                 39.222                145.173
 ROA2   Fr= 1--      -9.920                281.404               -259.610
 CID2   Fr= 1--      -0.216                  7.175                 -1.788
 Raman3 Fr= 1--      91.671                 78.444                290.347
 ROA3   Fr= 1--    -259.640                847.208                 -9.272
 CID3   Fr= 1--      -2.832                 10.800                 -0.032
 RC180  Fr= 1--      -0.320                  0.690                  0.263
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     4   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.01  -0.01   0.02
     9   6    -0.00   0.00   0.00    -0.00   0.02  -0.07     0.01   0.01   0.06
    10   6     0.00   0.00  -0.00     0.01  -0.05   0.03     0.01  -0.05   0.04
    11   6     0.02  -0.00  -0.08     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    14   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.01
    16   1     0.01   0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00  -0.00
    17   1     0.00  -0.00   0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   1    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.01
    19   1     0.00  -0.00  -0.00    -0.01   0.02   0.02     0.02  -0.06  -0.07
    20   1     0.00  -0.00   0.00     0.01  -0.01   0.03    -0.04   0.05  -0.10
    21   1     0.00  -0.00   0.00     0.02  -0.01   0.03    -0.08   0.07  -0.17
    22   1     0.00  -0.00  -0.00    -0.05   0.25   0.27     0.07  -0.32  -0.36
    23   1    -0.00   0.00  -0.00     0.25  -0.20   0.44    -0.20   0.17  -0.35
    24   1     0.00   0.00  -0.00    -0.16  -0.31   0.07     0.04   0.08  -0.01
    25   1     0.00  -0.00   0.00    -0.16   0.12  -0.33    -0.18   0.14  -0.37
    26   1    -0.00   0.00   0.00    -0.17   0.02   0.04    -0.16   0.02   0.03
    27   1     0.00   0.00  -0.00     0.22   0.43  -0.11     0.24   0.46  -0.12
    28   1    -0.20   0.05   0.96    -0.00   0.00   0.00     0.00  -0.00  -0.00
    29   6    -0.01   0.00   0.01    -0.00   0.00   0.00    -0.00   0.00  -0.00
    30   1    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.03  -0.00  -0.16     0.00  -0.00  -0.00     0.00   0.00  -0.00
    32   1     0.04  -0.01  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    33   1    -0.01   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3090.0228              3103.5788              3111.0113
 Red. masses --      1.1014                 1.1003                 1.1023
 Frc consts  --      6.1959                 6.2442                 6.2857
 IR Inten    --     42.0010                32.9279                27.0381
 RamAct Fr= 1--    121.8176                54.6584               108.3956
  Dep-P Fr= 1--      0.6607                 0.7062                 0.6855
  Dep-U Fr= 1--      0.7957                 0.8278                 0.8134
 Alpha2 Fr= 1--      0.1940                 0.0416                 0.1229
 Beta2  Fr= 1--     16.1553                 7.5409                14.6953
 AlphaG Fr= 1--      0.0282                 0.1607                 0.0777
 Gamma2 Fr= 1--     -6.4547                 9.8552                 0.9742
 Delta2 Fr= 1--    -10.9991                 0.9302                -4.3159
 Raman1 Fr= 1--     487.270                218.634                433.582
 ROA1   Fr= 1--    -971.619                975.868                -44.584
 CID1   Fr= 1--      -1.994                  4.463                 -0.103
 Raman2 Fr= 1--     193.863                 90.491                176.343
 ROA2   Fr= 1--     -66.919                229.084                 57.908
 CID2   Fr= 1--      -0.345                  2.532                  0.328
 Raman3 Fr= 1--     387.726                180.981                352.686
 ROA3   Fr= 1--    -971.619                975.868                -44.584
 CID3   Fr= 1--      -2.506                  5.392                 -0.126
 RC180  Fr= 1--       0.591                  0.656                  0.627
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
     9   6    -0.02  -0.09  -0.01    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   6     0.01  -0.01   0.01    -0.09  -0.01   0.01     0.00   0.00  -0.00
    11   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    17   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    19   1    -0.00   0.02   0.02    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.00
    21   1    -0.02   0.02  -0.04     0.01  -0.01   0.03    -0.00  -0.00  -0.00
    22   1    -0.08   0.36   0.44    -0.00   0.02   0.02     0.00  -0.00  -0.00
    23   1    -0.06   0.03  -0.10     0.00  -0.00   0.00     0.00   0.00   0.00
    24   1     0.35   0.67  -0.19     0.02   0.03  -0.01    -0.00  -0.00   0.00
    25   1    -0.05   0.04  -0.11     0.05  -0.06   0.15    -0.00   0.00  -0.00
    26   1    -0.09   0.01   0.02     0.85  -0.15  -0.13    -0.01   0.00   0.00
    27   1     0.06   0.13  -0.03     0.18   0.39  -0.11    -0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00     0.00  -0.00   0.00     0.01  -0.00  -0.05
    29   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.08   0.05   0.00
    30   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    31   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02   0.00  -0.20
    32   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.69  -0.05  -0.10
    33   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.21  -0.57   0.30
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3129.8835              3159.9802              3160.6451
 Red. masses --      1.1013                 1.0875                 1.0869
 Frc consts  --      6.3567                 6.3978                 6.3972
 IR Inten    --     12.8501                19.7361                 2.8607
 RamAct Fr= 1--     28.9754                11.5617               101.5930
  Dep-P Fr= 1--      0.6736                 0.1254                 0.6843
  Dep-U Fr= 1--      0.8050                 0.2228                 0.8126
 Alpha2 Fr= 1--      0.0392                 0.1901                 0.1174
 Beta2  Fr= 1--      3.8876                 0.4294                13.7583
 AlphaG Fr= 1--      0.0622                 0.0077                -0.1305
 Gamma2 Fr= 1--     -1.7288                -0.6989                 0.7590
 Delta2 Fr= 1--      2.0625                -0.5579                 2.1374
 Raman1 Fr= 1--     115.901                 46.247                406.372
 ROA1   Fr= 1--     -99.967                -84.944                141.266
 CID1   Fr= 1--      -0.863                 -1.837                  0.348
 Raman2 Fr= 1--      46.651                  5.152                165.100
 ROA2   Fr= 1--     -57.992                -12.309                  1.117
 CID2   Fr= 1--      -1.243                 -2.389                  0.007
 Raman3 Fr= 1--      93.301                 10.305                330.200
 ROA3   Fr= 1--     -99.967                -84.944                141.266
 CID3   Fr= 1--      -1.071                 -8.243                  0.428
 RC180  Fr= 1--       0.610                 -0.554                  0.625
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.02  -0.00   0.03    -0.03   0.01  -0.04
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00     0.01   0.00  -0.03    -0.02  -0.00   0.04
     4   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.02     0.01  -0.00   0.01
     6   6     0.00   0.00  -0.00     0.03   0.00  -0.06     0.02   0.00  -0.04
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    14   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    15   1     0.00  -0.00   0.00    -0.22   0.04  -0.33     0.33  -0.06   0.48
    16   1     0.01   0.00  -0.02    -0.18  -0.01   0.40     0.23   0.01  -0.50
    17   1    -0.02   0.00  -0.03    -0.17   0.03  -0.25    -0.12   0.02  -0.17
    18   1    -0.00  -0.00   0.01    -0.31  -0.01   0.67    -0.23  -0.01   0.50
    19   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.01   0.01
    20   1     0.00  -0.00   0.00    -0.01   0.00  -0.01     0.01  -0.01   0.01
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    26   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    27   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    28   1    -0.03   0.01   0.15    -0.00   0.00   0.01     0.01  -0.00  -0.02
    29   6     0.02   0.03  -0.09    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    30   1    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   1    -0.15   0.04   0.84     0.00  -0.00  -0.01     0.00  -0.00  -0.02
    32   1    -0.19   0.02   0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    33   1     0.15  -0.38   0.18    -0.00   0.00  -0.00    -0.00   0.01  -0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3177.1302              3183.9010              3723.5246
 Red. masses --      1.0937                 1.0931                 1.0639
 Frc consts  --      6.5045                 6.5287                 8.6911
 IR Inten    --     17.6129                 2.6693                62.9282
 RamAct Fr= 1--    115.5058               131.7501               107.7774
  Dep-P Fr= 1--      0.1402                 0.1313                 0.2393
  Dep-U Fr= 1--      0.2460                 0.2321                 0.3862
 Alpha2 Fr= 1--      1.8302                 2.1351                 1.3160
 Beta2  Fr= 1--      4.7353                 5.0960                 6.9365
 AlphaG Fr= 1--      0.1932                -0.2965                -0.3604
 Gamma2 Fr= 1--      1.8539                 1.0919                -6.0908
 Delta2 Fr= 1--      1.0615                -0.3088                 0.0330
 Raman1 Fr= 1--     462.023                527.000                431.109
 ROA1   Fr= 1--     211.941                 94.936               -583.660
 CID1   Fr= 1--       0.459                  0.180                 -1.354
 Raman2 Fr= 1--      56.823                 61.153                 83.238
 ROA2   Fr= 1--      36.001                 28.675               -146.443
 CID2   Fr= 1--       0.634                  0.469                 -1.759
 Raman3 Fr= 1--     113.647                122.305                166.476
 ROA3   Fr= 1--     211.941                 94.936               -583.660
 CID3   Fr= 1--       1.865                  0.776                 -3.506
 RC180  Fr= 1--      -0.508                 -0.536                 -0.228
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.05     0.01  -0.00   0.01    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6     0.03   0.00  -0.06    -0.00  -0.00   0.01     0.00   0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   6    -0.01   0.00  -0.01    -0.05   0.01  -0.07     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.02   0.00  -0.03     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    13   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    14   8     0.00   0.00   0.00     0.00  -0.00   0.00     0.02  -0.05   0.03
    15   1     0.39  -0.07   0.57    -0.06   0.01  -0.09    -0.00   0.00  -0.00
    16   1    -0.29  -0.01   0.63     0.04   0.00  -0.09     0.00  -0.00  -0.00
    17   1     0.09  -0.02   0.13     0.51  -0.10   0.75     0.00  -0.00  -0.00
    18   1    -0.01  -0.00   0.01    -0.16  -0.01   0.33    -0.00   0.00   0.00
    19   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    20   1     0.01  -0.01   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    21   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    22   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    23   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    24   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    28   1    -0.01   0.00   0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    29   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    30   1     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.26   0.83  -0.48
    31   1    -0.00   0.00   0.01    -0.00   0.00   0.03    -0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    33   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  8 and mass  15.99491
 Atom    14 has atomic number  8 and mass  15.99491
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Molecular mass:   206.13068 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1362.553526919.063437175.91763
           X            0.99985   0.01701  -0.00326
           Y           -0.01688   0.99917   0.03720
           Z            0.00389  -0.03714   0.99930
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06357     0.01252     0.01207
 Rotational constants (GHZ):           1.32453     0.26084     0.25150
 Zero-point vibrational energy     745966.3 (Joules/Mol)
                                  178.29022 (Kcal/Mol)
 Warning -- explicit consideration of  23 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     36.55    51.65    67.17    76.62    91.91
          (Kelvin)            163.68   219.59   299.66   323.31   325.69
                              358.69   361.81   415.88   464.20   509.66
                              553.06   591.73   603.86   612.08   650.37
                              791.80   815.65   891.64   924.52   957.65
                             1037.11  1084.57  1160.47  1185.88  1204.84
                             1227.86  1235.91  1254.31  1291.70  1347.06
                             1372.91  1385.04  1398.74  1405.85  1459.27
                             1505.21  1559.96  1578.85  1591.60  1638.07
                             1652.04  1671.33  1717.71  1743.94  1759.46
                             1779.54  1794.96  1842.01  1883.51  1897.80
                             1941.98  1961.92  1974.71  1978.13  2003.40
                             2019.21  2037.15  2047.33  2100.72  2137.27
                             2144.27  2146.94  2154.64  2156.44  2164.23
                             2174.22  2232.50  2328.56  2385.96  2598.12
                             4322.06  4342.90  4345.39  4354.82  4384.45
                             4397.34  4418.25  4428.06  4437.48  4445.85
                             4465.36  4476.05  4503.20  4546.51  4547.46
                             4571.18  4580.92  5357.32
 
 Zero-point correction=                           0.284124 (Hartree/Particle)
 Thermal correction to Energy=                    0.299822
 Thermal correction to Enthalpy=                  0.300766
 Thermal correction to Gibbs Free Energy=         0.239372
 Sum of electronic and zero-point Energies=           -656.740271
 Sum of electronic and thermal Energies=              -656.724573
 Sum of electronic and thermal Enthalpies=            -656.723629
 Sum of electronic and thermal Free Energies=         -656.785023
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  188.141             58.748            129.213
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             41.874
 Rotational               0.889              2.981             32.581
 Vibrational            186.363             52.786             54.758
 Vibration     1          0.593              1.985              6.160
 Vibration     2          0.594              1.982              5.473
 Vibration     3          0.595              1.979              4.953
 Vibration     4          0.596              1.976              4.693
 Vibration     5          0.597              1.972              4.334
 Vibration     6          0.607              1.938              3.204
 Vibration     7          0.619              1.900              2.639
 Vibration     8          0.642              1.828              2.059
 Vibration     9          0.649              1.803              1.921
 Vibration    10          0.650              1.801              1.908
 Vibration    11          0.662              1.764              1.735
 Vibration    12          0.663              1.760              1.720
 Vibration    13          0.686              1.694              1.480
 Vibration    14          0.708              1.630              1.297
 Vibration    15          0.730              1.567              1.147
 Vibration    16          0.753              1.503              1.022
 Vibration    17          0.775              1.446              0.922
 Vibration    18          0.782              1.427              0.893
 Vibration    19          0.787              1.415              0.874
 Vibration    20          0.811              1.356              0.790
 Vibration    21          0.906              1.139              0.543
 Vibration    22          0.923              1.103              0.510
 Vibration    23          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.787862-110       -110.103550       -253.522793
 Total V=0       0.383789D+21         20.584093         47.396625
 Vib (Bot)       0.230037-124       -124.638203       -286.990067
 Vib (Bot)    1  0.815306D+01          0.911321          2.098394
 Vib (Bot)    2  0.576517D+01          0.760812          1.751835
 Vib (Bot)    3  0.442934D+01          0.646339          1.488250
 Vib (Bot)    4  0.388076D+01          0.588916          1.356030
 Vib (Bot)    5  0.323127D+01          0.509374          1.172877
 Vib (Bot)    6  0.179884D+01          0.254993          0.587144
 Vib (Bot)    7  0.132754D+01          0.123048          0.283328
 Vib (Bot)    8  0.954280D+00         -0.020324         -0.046798
 Vib (Bot)    9  0.878514D+00         -0.056251         -0.129523
 Vib (Bot)   10  0.871448D+00         -0.059759         -0.137599
 Vib (Bot)   11  0.783122D+00         -0.106171         -0.244467
 Vib (Bot)   12  0.775575D+00         -0.110376         -0.254150
 Vib (Bot)   13  0.661935D+00         -0.179185         -0.412588
 Vib (Bot)   14  0.581724D+00         -0.235283         -0.541759
 Vib (Bot)   15  0.519410D+00         -0.284490         -0.655062
 Vib (Bot)   16  0.468909D+00         -0.328911         -0.757346
 Vib (Bot)   17  0.429768D+00         -0.366766         -0.844510
 Vib (Bot)   18  0.418456D+00         -0.378350         -0.871183
 Vib (Bot)   19  0.411029D+00         -0.386128         -0.889092
 Vib (Bot)   20  0.378746D+00         -0.421652         -0.970889
 Vib (Bot)   21  0.285073D+00         -0.545044         -1.255011
 Vib (Bot)   22  0.272315D+00         -0.564929         -1.300797
 Vib (Bot)   23  0.236049D+00         -0.626999         -1.443718
 Vib (V=0)       0.112057D+07          6.049440         13.929351
 Vib (V=0)    1  0.866838D+01          0.937938          2.159682
 Vib (V=0)    2  0.628681D+01          0.798431          1.838454
 Vib (V=0)    3  0.495747D+01          0.695260          1.600895
 Vib (V=0)    4  0.441283D+01          0.644718          1.484517
 Vib (V=0)    5  0.376973D+01          0.576310          1.327004
 Vib (V=0)    6  0.236704D+01          0.374206          0.861640
 Vib (V=0)    7  0.191858D+01          0.282980          0.651585
 Vib (V=0)    8  0.157734D+01          0.197924          0.455737
 Vib (V=0)    9  0.151083D+01          0.179217          0.412662
 Vib (V=0)   10  0.150470D+01          0.177450          0.408593
 Vib (V=0)   11  0.142913D+01          0.155071          0.357065
 Vib (V=0)   12  0.142278D+01          0.153137          0.352610
 Vib (V=0)   13  0.132955D+01          0.123706          0.284843
 Vib (V=0)   14  0.126707D+01          0.102802          0.236711
 Vib (V=0)   15  0.122096D+01          0.086702          0.199639
 Vib (V=0)   16  0.118548D+01          0.073892          0.170144
 Vib (V=0)   17  0.115932D+01          0.064203          0.147832
 Vib (V=0)   18  0.115200D+01          0.061453          0.141501
 Vib (V=0)   19  0.114726D+01          0.059662          0.137376
 Vib (V=0)   20  0.112725D+01          0.052022          0.119785
 Vib (V=0)   21  0.107556D+01          0.031634          0.072839
 Vib (V=0)   22  0.106935D+01          0.029118          0.067048
 Vib (V=0)   23  0.105292D+01          0.022395          0.051566
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.116324D+09          8.065668         18.571887
 Rotational      0.294432D+07          6.468985         14.895388
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3        33333333333333333                           111111111111111111111111111111111111                                       
     7        11111110000000000                           8665554444444443333333222221111100009999988888887766655444433322222211     
     2        87663109877542210                           051510999986210977651084321964309841776539755320526426552218528542205165432
     4        47100140481677084                           688214982050363252409908732428967464723468293747416307025014439196583443765
 
     X        XXXXXXXXXXXXXXXXX                           XXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXXX XXXX
     X             XXXX   XXX                             X  X           X            XX X X               X XXX                     
     X               XX    XX                             X              X            XX X X               X  XX                     
     X                X    X                              X                           X    X                  X                      
     X                                                    X                           X                       X                      
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                           X                                              
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
                                                          X                                                                          
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000012700    0.000004108    0.000002110
      2        6           0.000003832   -0.000003949   -0.000007380
      3        6           0.000013699   -0.000002576    0.000000755
      4        6          -0.000020366   -0.000004231    0.000011014
      5        6          -0.000005743    0.000003624    0.000004170
      6        6           0.000006024   -0.000000305   -0.000001678
      7        6          -0.000024303    0.000024153   -0.000003980
      8        6           0.000004653   -0.000003215    0.000023074
      9        6          -0.000002592    0.000006428   -0.000003201
     10        6          -0.000001613   -0.000009465   -0.000016007
     11        6           0.000040442    0.000003018   -0.000008095
     12        6          -0.000008789    0.000014571   -0.000002467
     13        8           0.000003476   -0.000001409    0.000008463
     14        8           0.000001262   -0.000020050   -0.000011584
     15        1           0.000001000   -0.000002097   -0.000001753
     16        1          -0.000001688    0.000002540   -0.000001704
     17        1          -0.000001081    0.000001916   -0.000000008
     18        1          -0.000000212   -0.000002390    0.000002836
     19        1           0.000006289   -0.000006211    0.000000638
     20        1           0.000004256   -0.000012777    0.000001669
     21        1          -0.000001734    0.000001011   -0.000003171
     22        1          -0.000002522    0.000000341    0.000001864
     23        1           0.000003417   -0.000001134   -0.000001957
     24        1           0.000004705    0.000001067    0.000003888
     25        1           0.000000699    0.000001133   -0.000000059
     26        1          -0.000000260   -0.000002016    0.000000511
     27        1           0.000001306    0.000001178    0.000000453
     28        1          -0.000009673    0.000001666    0.000005288
     29        6           0.000008593   -0.000007335   -0.000006098
     30        1          -0.000001313    0.000004612   -0.000000603
     31        1          -0.000003081    0.000004579    0.000000327
     32        1          -0.000004225    0.000000154    0.000001640
     33        1          -0.000001758    0.000003064    0.000001044
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000040442 RMS     0.000008212
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216163D+03 -0.393826D+00  0.606732D+00
      2  -0.393826D+00  0.132653D+03 -0.188072D+00
      3   0.606732D+00 -0.188072D+00  0.152261D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677183D+01 -0.209221D+01  0.232066D+02
      2  -0.427148D+02  0.435496D+01  0.430464D+02
      3  -0.970750D+02 -0.357447D+02 -0.164936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.233954D+03  0.381213D+02 -0.736924D+02
      2  -0.125633D+03 -0.911653D+01  0.329210D+02
      3  -0.108321D+03 -0.290047D+02  0.407714D+02
      4  -0.415371D+02  0.664535D+02  0.991524D+01
      5  -0.460985D+02  0.661402D+01  0.923128D+02
      6   0.674690D+01  0.107043D+02 -0.502968D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.997514D+01  0.550057D+00  0.737223D-01  0.160123D+01  0.211032D+01
      2   0.550057D+00  0.133372D+01 -0.919140D-01  0.211032D+01 -0.158543D+01
      3   0.737223D-01 -0.919140D-01  0.285098D+01  0.727628D+00  0.318765D+01
                 6             7             8             9            10 
      1   0.727628D+00  0.125035D+02  0.623774D+00 -0.129057D+01  0.286416D+02
      2   0.318765D+01  0.623774D+00  0.135928D+01  0.434259D+00  0.119509D+01
      3  -0.288287D+00 -0.129057D+01  0.434259D+00  0.354359D-01 -0.149097D+01
                11            12            13            14            15 
      1   0.119509D+01 -0.149097D+01 -0.149140D+01  0.470194D+01  0.527471D+00
      2   0.168298D+01 -0.211245D+00  0.470194D+01 -0.864518D+00 -0.246060D+00
      3  -0.211245D+00  0.302465D+01  0.527471D+00 -0.246060D+00 -0.616339D+00
                16            17            18            19            20 
      1  -0.302151D+01  0.325395D+00  0.652599D+00  0.119624D+02 -0.418771D+00
      2   0.325395D+00 -0.358293D+00 -0.769057D+00 -0.418771D+00 -0.135361D+01
      3   0.652599D+00 -0.769057D+00  0.837799D+00 -0.279848D+00  0.106833D+01
                21            22            23            24            25 
      1  -0.279848D+00 -0.921553D+00 -0.175278D+01  0.563418D+00  0.109917D+02
      2   0.106833D+01 -0.175278D+01 -0.359396D+00  0.324539D+01 -0.739479D+00
      3  -0.237083D+01  0.563418D+00  0.324539D+01  0.566449D+00  0.107307D+01
                26            27            28            29            30 
      1  -0.739479D+00  0.107307D+01 -0.253870D+02 -0.476122D+00  0.486492D+00
      2   0.203396D+01  0.274334D+00 -0.476122D+00 -0.149074D+01 -0.121034D+00
      3   0.274334D+00  0.479450D+00  0.486492D+00 -0.121034D+00 -0.250607D+01
                31            32            33            34            35 
      1   0.297335D+01 -0.503544D+01 -0.681302D-01  0.132418D+01 -0.101347D+00
      2  -0.503544D+01  0.576407D+00 -0.140474D+00 -0.101347D+00 -0.588923D+00
      3  -0.681302D-01 -0.140474D+00  0.122874D+00 -0.472480D+00 -0.459652D+00
                36            37            38            39            40 
      1  -0.472480D+00  0.815214D+01 -0.284556D+00 -0.321499D+00 -0.349762D-01
      2  -0.459652D+00 -0.284556D+00 -0.119099D+01 -0.798268D+00 -0.166363D+01
      3   0.108446D+01 -0.321499D+00 -0.798268D+00 -0.200318D+01 -0.534763D+00
                41            42            43            44            45 
      1  -0.166363D+01 -0.534763D+00 -0.122270D+02  0.416651D+00  0.321442D+00
      2   0.660951D+00 -0.273881D+01  0.416651D+00 -0.153641D+01 -0.259402D-01
      3  -0.273881D+01 -0.660927D-01  0.321442D+00 -0.259402D-01 -0.109301D+01
                46            47            48            49            50 
      1  -0.990853D+01  0.219415D-01  0.620751D+00  0.194532D+01  0.133265D+01
      2   0.219415D-01  0.103857D+01  0.107283D+00  0.133265D+01 -0.486214D+00
      3   0.620751D+00  0.107283D+00  0.100637D+01 -0.624687D+00 -0.313076D+01
                51            52            53            54            55 
      1  -0.624687D+00 -0.102505D+02 -0.299361D+00 -0.351585D+00 -0.133361D+02
      2  -0.313076D+01 -0.299361D+00 -0.167637D+01  0.164563D-02 -0.219297D+01
      3  -0.773518D+00 -0.351585D+00  0.164563D-02 -0.730727D+00  0.533720D+00
                56            57            58            59            60 
      1  -0.219297D+01  0.533720D+00 -0.724069D+01 -0.709988D+01  0.513129D+00
      2  -0.296079D+01  0.390161D+00 -0.709988D+01 -0.672591D-01  0.159650D+01
      3   0.390161D+00 -0.195632D+01  0.513129D+00  0.159650D+01  0.298025D+01
                61            62            63            64            65 
      1   0.418483D+01  0.602505D+00 -0.383801D+01 -0.864941D+00  0.252433D+01
      2   0.602505D+00  0.201330D+01  0.379552D+01  0.252433D+01  0.339952D+01
      3  -0.383801D+01  0.379552D+01 -0.891390D+00  0.255827D+01 -0.924445D+00
                66            67            68            69            70 
      1   0.255827D+01  0.113186D+02  0.641444D+01 -0.194897D+01  0.719787D+00
      2  -0.924445D+00  0.641444D+01  0.131216D+01 -0.181186D+01 -0.124158D+01
      3   0.231513D+01 -0.194897D+01 -0.181186D+01 -0.333657D+01  0.345589D+01
                71            72            73            74            75 
      1  -0.124158D+01  0.345589D+01  0.450057D+01 -0.154672D+01 -0.226874D+01
      2  -0.219714D+01 -0.364141D+01 -0.154672D+01 -0.333239D+01  0.113737D+01
      3  -0.364141D+01  0.298666D+01 -0.226874D+01  0.113737D+01 -0.238510D+01
                76            77            78            79            80 
      1  -0.359733D+01 -0.535749D+01  0.157032D+01 -0.219034D+01  0.128970D+01
      2  -0.535749D+01 -0.211424D+01  0.302207D+01  0.128970D+01  0.273568D+01
      3   0.157032D+01  0.302207D+01  0.343436D+01 -0.363285D+01  0.364517D+01
                81            82            83            84            85 
      1  -0.363285D+01  0.567825D+01 -0.246159D+01 -0.182282D+01 -0.382392D+01
      2   0.364517D+01 -0.246159D+01 -0.319941D+01  0.758324D+00 -0.400829D+01
      3  -0.210411D-01 -0.182282D+01  0.758324D+00 -0.199643D+01  0.141773D+01
                86            87            88            89            90 
      1  -0.400829D+01  0.141773D+01 -0.167932D+01  0.119959D+01 -0.249307D+01
      2  -0.388259D+01  0.195183D+01  0.119959D+01  0.310563D+01  0.261413D+01
      3   0.195183D+01  0.282601D+01 -0.249307D+01  0.261413D+01 -0.298532D+01
                91            92            93            94            95 
      1   0.306096D+01  0.263915D+01 -0.312263D+00  0.929138D+00  0.613751D+01
      2   0.263915D+01  0.218290D+01  0.709749D+00  0.613751D+01 -0.175682D+01
      3  -0.312263D+00  0.709749D+00  0.107466D+01  0.572277D+00  0.143355D+01
                96            97            98            99           100 
      1   0.572277D+00  0.335211D+01  0.499905D+00  0.165063D+01  0.221400D+01
      2   0.143355D+01  0.499905D+00  0.316710D+01 -0.329841D+00 -0.795205D+00
      3  -0.315908D+00  0.165063D+01 -0.329841D+00 -0.478597D+01  0.182358D+01
               101           102           103           104           105 
      1  -0.795205D+00  0.182358D+01 -0.753540D+00 -0.140511D+01 -0.572645D+00
      2  -0.272837D+00 -0.523667D+00 -0.140511D+01  0.265007D+01 -0.142569D+01
      3  -0.523667D+00  0.775155D+00 -0.572645D+00 -0.142569D+01 -0.180397D+00
               106           107           108           109           110 
      1   0.274132D+01 -0.137999D+01  0.186462D+01 -0.457946D+01  0.812474D+00
      2  -0.137999D+01 -0.172092D+00 -0.100579D+01  0.812474D+00 -0.102914D+01
      3   0.186462D+01 -0.100579D+01  0.442546D+01 -0.372363D+01  0.382657D+00
               111           112           113           114           115 
      1  -0.372363D+01  0.657076D+00 -0.129268D+01  0.703496D+00 -0.753263D+01
      2   0.382657D+00 -0.129268D+01  0.392963D+00 -0.178427D+01  0.213745D+01
      3  -0.213111D+01  0.703496D+00 -0.178427D+01  0.935542D+00 -0.407050D+01
               116           117           118           119           120 
      1   0.213745D+01 -0.407050D+01  0.633529D+00  0.357344D+00  0.122203D+01
      2  -0.358790D+01  0.131551D+01  0.357344D+00  0.192078D+01 -0.220845D+00
      3   0.131551D+01 -0.905957D+01  0.122203D+01 -0.220845D+00  0.163791D+00
               121           122           123           124           125 
      1   0.752810D+00  0.133268D+01 -0.526596D+00  0.297167D+01 -0.182547D+01
      2   0.133268D+01 -0.261389D+01  0.274047D+01 -0.182547D+01  0.525266D+01
      3  -0.526596D+00  0.274047D+01  0.219014D+00 -0.344249D+00  0.166666D+01
               126           127           128           129           130 
      1  -0.344249D+00  0.345305D+01 -0.404398D+00  0.268327D+01 -0.109532D+01
      2   0.166666D+01 -0.404398D+00  0.508169D+00 -0.502999D+00  0.175675D+00
      3   0.305875D+01  0.268327D+01 -0.502999D+00  0.281569D+01 -0.575147D+00
               131           132           133           134           135 
      1   0.175675D+00 -0.575147D+00  0.287746D+01 -0.421897D+00  0.336357D+01
      2  -0.250017D+00  0.321917D+00 -0.421897D+00  0.101982D+01 -0.101659D+01
      3   0.321917D+00 -0.771796D+00  0.336357D+01 -0.101659D+01  0.670328D+01
               136           137           138           139           140 
      1  -0.231033D+01 -0.826004D-01  0.228089D+01  0.174398D+00 -0.102078D-01
      2  -0.826004D-01 -0.238416D+00  0.694133D-01 -0.102078D-01 -0.970560D-01
      3   0.228089D+01  0.694133D-01 -0.242305D+01 -0.681900D-01  0.253910D+00
               141           142           143           144           145 
      1  -0.681900D-01  0.221017D+01  0.242000D+00 -0.301804D+01 -0.358234D+01
      2   0.253910D+00  0.242000D+00  0.905657D+00 -0.532121D+00  0.506091D+00
      3  -0.268122D+00 -0.301804D+01 -0.532121D+00  0.851500D+01 -0.213799D+01
               146           147           148           149           150 
      1   0.506091D+00 -0.213799D+01  0.876892D+00 -0.173333D+00  0.483162D+00
      2  -0.546495D+00  0.213600D+00 -0.173333D+00  0.182099D+00 -0.223295D+00
      3   0.213600D+00 -0.199029D+01  0.483162D+00 -0.223295D+00  0.585522D+00
               151           152           153           154           155 
      1  -0.278709D+01  0.208509D+00 -0.288634D+01  0.220654D+01  0.420944D-01
      2   0.208509D+00 -0.839758D+00  0.435685D+00  0.420944D-01  0.248835D+00
      3  -0.288634D+01  0.435685D+00 -0.560242D+01 -0.216309D+01  0.154649D+00
               156           157           158           159           160 
      1  -0.216309D+01 -0.195135D+00  0.582923D-03  0.100789D+00 -0.244625D+01
      2   0.154649D+00  0.582923D-03 -0.366192D-01 -0.271808D+00 -0.100878D+00
      3   0.211617D+01  0.100789D+00 -0.271808D+00  0.139505D+00  0.296930D+01
               161           162           163           164           165 
      1  -0.100878D+00  0.296930D+01  0.253432D+01 -0.115829D+01 -0.142933D+01
      2  -0.845591D+00 -0.151063D+00 -0.115829D+01  0.135363D+01  0.513043D+00
      3  -0.151063D+00 -0.786278D+01 -0.142933D+01  0.513043D+00  0.765707D+00
               166           167           168           169           170 
      1  -0.147857D+01  0.245449D+01  0.904593D+00 -0.547679D+01  0.863957D+00
      2   0.245449D+01 -0.428183D+01 -0.239319D+01  0.863957D+00 -0.310442D+01
      3   0.904593D+00 -0.239319D+01 -0.186989D+01  0.232524D+01 -0.259180D+01
               171           172           173           174           175 
      1   0.232524D+01  0.243603D+01 -0.885233D+00  0.175640D+01 -0.220042D+00
      2  -0.259180D+01 -0.885233D+00  0.141286D+01 -0.662508D+00  0.166263D+01
      3  -0.299689D+01  0.175640D+01 -0.662508D+00  0.122643D+01 -0.603422D+00
               176           177           178           179           180 
      1   0.166263D+01 -0.603422D+00  0.425609D+01 -0.776660D+00  0.191404D+01
      2  -0.193865D+01  0.116112D+01 -0.776660D+00  0.193483D+01 -0.206440D+01
      3   0.116112D+01 -0.122199D+01  0.191404D+01 -0.206440D+01  0.350431D+01
               181           182           183           184           185 
      1  -0.156426D+01  0.326627D-01 -0.175331D+01 -0.289259D+00 -0.956220D+00
      2   0.326627D-01 -0.111325D+01  0.428947D+00 -0.956220D+00  0.147631D+01
      3  -0.175331D+01  0.428947D+00 -0.132738D+01  0.318285D+00 -0.116904D+01
               186           187           188           189           190 
      1   0.318285D+00 -0.270215D+01  0.185582D+00 -0.109462D+01  0.865947D+00
      2  -0.116904D+01  0.185582D+00 -0.131116D+01  0.181582D+01 -0.104811D+01
      3   0.198477D+01 -0.109462D+01  0.181582D+01 -0.531895D+01 -0.116492D+01
               191           192           193           194           195 
      1  -0.104811D+01 -0.116492D+01 -0.219006D+01  0.188663D+01  0.123040D+01
      2   0.783412D+00  0.447373D+00  0.188663D+01 -0.298426D+01 -0.252677D+01
      3   0.447373D+00  0.112596D+01  0.123040D+01 -0.252677D+01 -0.282839D+01
               196           197           198           199           200 
      1  -0.252492D+01  0.953844D+00  0.260551D+01  0.373544D+01 -0.851991D+00
      2   0.953844D+00 -0.249336D+01 -0.264138D+01 -0.851991D+00  0.110077D+01
      3   0.260551D+01 -0.264138D+01 -0.477903D+01  0.197258D+01 -0.583833D+00
               201           202           203           204           205 
      1   0.197258D+01 -0.162823D+01  0.177480D+01 -0.802742D+00  0.461587D+01
      2  -0.583833D+00  0.177480D+01 -0.115791D+01  0.709463D+00 -0.100459D+01
      3   0.164837D+01 -0.802742D+00  0.709463D+00 -0.141345D+01  0.264883D+01
               206           207           208           209           210 
      1  -0.100459D+01  0.264883D+01  0.431409D+01  0.283535D+01 -0.992961D+00
      2   0.122058D+01 -0.138605D+01  0.283535D+01  0.231724D+01 -0.774943D+00
      3  -0.138605D+01  0.366538D+01 -0.992961D+00 -0.774943D+00  0.939297D+00
               211           212           213           214           215 
      1   0.578326D+01  0.424695D+01 -0.158921D+01 -0.128010D+01 -0.100629D+01
      2   0.424695D+01  0.546422D+01 -0.159873D+01 -0.100629D+01 -0.137735D+01
      3  -0.158921D+01 -0.159873D+01  0.118577D+01  0.178151D+01  0.839892D+00
               216           217           218           219           220 
      1   0.178151D+01  0.135724D+01  0.174655D+00  0.184693D+01 -0.574516D+00
      2   0.839892D+00  0.174655D+00  0.100533D+01  0.302523D-02  0.686879D+00
      3  -0.119830D+01  0.184693D+01  0.302523D-02  0.220016D+01 -0.543405D+00
               221           222           223           224           225 
      1   0.686879D+00 -0.543405D+00  0.231470D+01  0.390133D-01  0.222561D+01
      2  -0.303764D+00  0.664812D+00  0.390133D-01  0.107581D+01 -0.177747D+00
      3   0.664812D+00 -0.162454D+01  0.222561D+01 -0.177747D+00  0.628516D+01
               226           227           228           229           230 
      1  -0.866764D+01  0.524987D+00  0.109459D+01 -0.161890D-01 -0.140531D+01
      2   0.524987D+00 -0.192400D+01 -0.767640D+00 -0.140531D+01  0.115664D+01
      3   0.109459D+01 -0.767640D+00 -0.101356D+01 -0.569502D+00  0.937898D-01
               231           232           233           234           235 
      1  -0.569502D+00  0.101134D+01 -0.464258D+00 -0.650666D+00  0.224691D+01
      2   0.937898D-01 -0.464258D+00 -0.887053D-01  0.172843D+00  0.278696D+01
      3   0.670246D-01 -0.650666D+00  0.172843D+00  0.948081D+00  0.105663D+00
               236           237           238           239           240 
      1   0.278696D+01  0.105663D+00  0.287622D+01  0.383621D+01 -0.142524D+00
      2   0.311746D+01  0.559065D-01  0.383621D+01  0.869569D+01 -0.172185D+00
      3   0.559065D-01  0.751088D+00 -0.142524D+00 -0.172185D+00  0.759799D+00
               241           242           243           244           245 
      1  -0.798782D+00 -0.709166D+00  0.877349D+00  0.210790D+00 -0.406020D+00
      2  -0.709166D+00 -0.166220D+01  0.799769D+00 -0.406020D+00 -0.538785D+00
      3   0.877349D+00  0.799769D+00 -0.251199D+00  0.173516D+01 -0.121161D+00
               246           247           248           249           250 
      1   0.173516D+01 -0.450835D+00 -0.103406D+01 -0.816963D-01  0.283841D+01
      2  -0.121161D+00 -0.103406D+01  0.289756D+00  0.834224D+00 -0.674353D-01
      3  -0.124563D+01 -0.816963D-01  0.834224D+00  0.353231D-01 -0.206196D+01
               251           252           253           254           255 
      1  -0.674353D-01 -0.206196D+01  0.847318D+01 -0.756682D+00 -0.131472D+01
      2   0.117572D+01  0.118222D+00 -0.756682D+00 -0.351738D+01 -0.308084D-01
      3   0.118222D+00  0.639950D+01 -0.131472D+01 -0.308084D-01 -0.997095D+00
               256           257           258           259           260 
      1  -0.573109D+01 -0.427829D+01 -0.581814D+00 -0.421608D+01 -0.830636D+00
      2  -0.427829D+01  0.158828D+01 -0.255325D+01 -0.830636D+00 -0.351683D+01
      3  -0.581814D+00 -0.255325D+01  0.547623D+00 -0.130407D+01  0.112316D+01
               261           262           263           264           265 
      1  -0.130407D+01 -0.101867D+01  0.145972D+01  0.511078D-01  0.157446D+01
      2   0.112316D+01  0.145972D+01 -0.195088D+01  0.600383D-01 -0.253296D+01
      3   0.393860D+01  0.511078D-01  0.600383D-01 -0.288544D+00  0.165599D+00
               266           267           268           269           270 
      1  -0.253296D+01  0.165599D+00 -0.691279D+00  0.119684D+01 -0.417930D+00
      2   0.835643D+01 -0.345280D+00  0.119684D+01 -0.339256D+01  0.105453D+01
      3  -0.345280D+00  0.116459D+01 -0.417930D+00  0.105453D+01 -0.336385D+00
               271           272           273           274           275 
      1  -0.386423D+00  0.793354D-01 -0.706063D+00  0.579362D+00  0.342681D+00
      2   0.793354D-01  0.675590D+00  0.156252D+00  0.342681D+00 -0.443375D+00
      3  -0.706063D+00  0.156252D+00  0.330126D+00 -0.578441D-01 -0.733023D+00
               276           277           278           279           280 
      1  -0.578441D-01 -0.200358D+01 -0.524232D+00 -0.525903D+00 -0.150449D+02
      2  -0.733023D+00 -0.524232D+00 -0.172045D+01 -0.142243D+01 -0.193352D+01
      3  -0.750446D+00 -0.525903D+00 -0.142243D+01 -0.582136D+01  0.475599D+00
               281           282           283           284           285 
      1  -0.193352D+01  0.475599D+00  0.750786D+00 -0.108826D+01  0.704913D-01
      2  -0.146526D+01 -0.589552D-01 -0.108826D+01 -0.185135D+00  0.327691D+00
      3  -0.589552D-01 -0.960723D+00  0.704913D-01  0.327691D+00  0.787900D-01
               286           287           288           289           290 
      1   0.158658D+01  0.350160D+00 -0.134765D+01 -0.511876D-01 -0.839470D+00
      2   0.350160D+00  0.621789D+00 -0.276466D+00 -0.839470D+00  0.204260D+01
      3  -0.134765D+01 -0.276466D+00 -0.258760D-01  0.561396D+00 -0.261850D+00
               291           292           293           294           295 
      1   0.561396D+00 -0.106029D+01 -0.311797D-02  0.224979D-01  0.132866D+01
      2  -0.261850D+00 -0.311797D-02 -0.739300D+01  0.172011D+01  0.358410D+00
      3   0.465573D+00  0.224979D-01  0.172011D+01 -0.130747D+01  0.713225D-01
               296           297 
      1   0.358410D+00  0.713225D-01
      2   0.284769D+01 -0.161541D+01
      3  -0.161541D+01  0.892908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.241600D+01  0.216273D+01  0.182567D+01  0.883929D+01  0.131684D+01
      2   0.589319D+01 -0.160540D+01  0.380773D+01 -0.195259D+01 -0.880602D+00
      3   0.126246D+02 -0.178548D+01 -0.347934D+00  0.101323D+02 -0.446254D+00
                 6             7             8             9            10 
      1  -0.229546D+01 -0.774884D+00  0.249838D+01  0.221180D+00 -0.385116D+01
      2  -0.152495D+00 -0.862323D+01  0.379563D+00  0.177184D-01 -0.144120D+02
      3  -0.489974D+01 -0.120622D+02 -0.198727D+01  0.670329D+00 -0.274227D+02
                11            12            13            14            15 
      1  -0.564928D+00  0.157342D+01  0.170558D+01  0.673213D+00 -0.943664D+01
      2  -0.129899D+00 -0.279976D+01  0.189217D+01 -0.210954D+01 -0.160856D+00
      3  -0.605228D+00  0.794481D+00  0.104426D+02 -0.159467D+01  0.298249D+00
                16            17            18            19            20 
      1  -0.329891D+01 -0.284391D+01 -0.659270D+00 -0.256991D+01 -0.105036D+01
      2  -0.229909D+02 -0.275022D+01 -0.329737D+01 -0.760859D+01  0.158460D+00
      3   0.239993D+01  0.665624D+00  0.300369D+00 -0.108452D+02  0.141029D+00
                21            22            23            24            25 
      1  -0.118962D+01 -0.541756D+01  0.277363D+01 -0.118396D+00 -0.263234D+00
      2   0.835607D+01 -0.167504D+01  0.459981D+00 -0.137603D+01 -0.107633D+02
      3  -0.118006D+00  0.119127D+02  0.929845D+00  0.339849D+01 -0.103225D+02
                26            27            28            29            30 
      1   0.352818D+01  0.768208D+00  0.143209D+01 -0.582475D-01 -0.241950D+01
      2   0.680514D+00  0.163003D+01  0.101673D+02  0.124424D+01 -0.361580D+01
      3   0.349766D+01 -0.131703D+01  0.220312D+02  0.128752D+00 -0.112656D+01
                31            32            33            34            35 
      1  -0.301907D+01  0.106579D+01 -0.959557D+01 -0.416842D+01 -0.245843D+01
      2  -0.400387D+00  0.313985D+01  0.147814D+01 -0.246046D+02  0.806299D+00
      3   0.599284D+01  0.379153D+01 -0.942889D+00 -0.268883D+00 -0.383592D+01
                36            37            38            39            40 
      1  -0.103042D+00 -0.104619D+01  0.984430D+00 -0.105666D+01  0.668293D+01
      2  -0.713670D+00 -0.881422D+01 -0.145673D+01  0.566938D+01 -0.875514D+00
      3   0.330513D+01 -0.831786D+01 -0.650261D+00  0.169725D+01  0.135460D+02
                41            42            43            44            45 
      1  -0.224964D+01 -0.329111D+01  0.273804D+01  0.170777D+01 -0.102586D+01
      2  -0.164543D+01 -0.225785D+00  0.370768D+01  0.528903D+00 -0.276834D+01
      3   0.499063D+00 -0.316894D+01  0.119208D+02 -0.171643D+01 -0.176209D+01
                46            47            48            49            50 
      1   0.279411D+01 -0.137796D+01  0.135960D+01 -0.630364D+01 -0.170237D+01
      2   0.990892D+01  0.258188D+00  0.107906D+02 -0.110777D+01  0.779164D+00
      3   0.133670D+02 -0.720654D+00  0.401013D+00  0.118515D+02 -0.918957D+00
                51            52            53            54            55 
      1  -0.274004D+01  0.129554D+01  0.239289D+01 -0.215807D+00  0.308607D+01
      2  -0.156165D+01  0.215379D+01 -0.106525D+00  0.496802D+01  0.261866D+01
      3   0.311376D+01  0.109595D+02  0.109433D+01  0.770717D+00  0.152069D+02
                56            57            58            59            60 
      1   0.175091D+01 -0.136006D+01  0.502842D+01  0.400052D+01  0.144594D+01
      2   0.453945D+00 -0.363828D+01  0.140122D+01  0.589939D+01  0.133247D+02
      3   0.693219D+01 -0.110653D+01  0.364765D+02  0.805470D+01 -0.538093D+01
                61            62            63            64            65 
      1  -0.195488D+01  0.679831D+01 -0.170118D+01 -0.424629D+01 -0.996703D+00
      2  -0.224420D+02  0.138717D+02 -0.544069D+01  0.774936D+01 -0.311769D+01
      3  -0.682823D+01 -0.631534D+01 -0.894554D+01 -0.168213D+02 -0.181801D+02
                66            67            68            69            70 
      1  -0.157816D+01 -0.222531D+01 -0.713600D+00 -0.430605D-01  0.179313D+01
      2   0.145528D+02 -0.773470D+01 -0.606257D+01 -0.166590D+02  0.105982D+02
      3   0.514657D+01 -0.267927D+02 -0.606501D+01  0.552940D+01  0.935004D+01
                71            72            73            74            75 
      1   0.721479D+01 -0.772493D+00  0.186278D+01  0.214964D+01 -0.391801D+00
      2  -0.161164D+02  0.158045D+02 -0.844625D+01  0.509178D+01 -0.135970D+02
      3   0.807137D+01  0.156938D+02  0.925200D+01  0.166570D+02 -0.671527D+01
                76            77            78            79            80 
      1   0.398135D+01  0.853810D+00 -0.526438D+01 -0.131874D+00 -0.142332D+01
      2   0.655777D+01  0.132340D+02  0.218017D+02 -0.276729D+02  0.215136D+02
      3   0.349957D+02  0.106582D+02 -0.172677D+02 -0.709907D+01 -0.151737D+02
                81            82            83            84            85 
      1  -0.237140D+01  0.284543D+01 -0.447017D+01  0.463820D+01 -0.612158D+01
      2  -0.157715D+01 -0.138313D+02  0.636963D+01 -0.225637D+01  0.826502D+01
      3  -0.207688D+02  0.214765D+02  0.429003D+01 -0.741086D+01  0.125406D+02
                86            87            88            89            90 
      1  -0.968654D+01 -0.687902D+01  0.607652D+01 -0.383319D+00  0.885978D+01
      2   0.991865D+01  0.901593D+01 -0.854756D+01  0.830625D+01 -0.973757D+01
      3   0.804275D+01 -0.527269D+01 -0.866503D+01 -0.907071D+01 -0.127292D+02
                91            92            93            94            95 
      1   0.792504D+00  0.641473D+00  0.179205D+01  0.201254D+01 -0.592218D+00
      2  -0.371682D+01 -0.314655D+01  0.639822D+00  0.553419D+00 -0.901802D+01
      3   0.627818D+00  0.138839D+01  0.244537D+01  0.323171D+02 -0.981037D+01
                96            97            98            99           100 
      1  -0.348528D+01  0.252372D+01  0.458179D+01 -0.195565D+01 -0.119823D+01
      2   0.666623D+00 -0.165696D+02  0.165217D+01  0.170466D+02  0.448911D+01
      3   0.535760D+01 -0.261213D+01  0.970591D+01 -0.266667D+01  0.111215D+02
               101           102           103           104           105 
      1  -0.590412D+01 -0.309850D+01 -0.192219D+01 -0.125321D+00  0.609392D+00
      2   0.669264D-01  0.360909D+01 -0.175840D+01  0.647829D+01  0.520026D+01
      3  -0.148242D+02 -0.114872D+01 -0.922893D+01  0.341016D+01 -0.203436D+01
               106           107           108           109           110 
      1  -0.573031D+01 -0.989169D+00 -0.436016D+01  0.431188D+01  0.359554D+01
      2  -0.460935D+01  0.432571D+01 -0.231011D+02  0.894739D+01 -0.115629D+01
      3  -0.478822D+01  0.711476D+01 -0.225318D+01 -0.343579D+01 -0.358692D+01
               111           112           113           114           115 
      1   0.273794D+01  0.742673D+00  0.112065D+01 -0.330589D+01  0.336653D+01
      2   0.898029D+01  0.362106D+00  0.609656D+01 -0.511233D+01  0.635884D+01
      3  -0.113869D+01 -0.467092D+00  0.258090D+01 -0.645806D+01  0.908250D+01
               116           117           118           119           120 
      1   0.835713D+01  0.109726D+02 -0.332616D+01  0.239319D+01 -0.549901D+00
      2  -0.369494D+01  0.356086D+02 -0.546839D+01  0.160927D+01  0.106689D+01
      3  -0.167904D+02  0.344789D+01  0.599977D+00  0.670307D+01  0.161788D+01
               121           122           123           124           125 
      1   0.161717D+00 -0.423103D+01 -0.378984D+01 -0.254885D+01  0.649008D+01
      2  -0.709789D+00 -0.952471D+01 -0.152971D+01 -0.258010D+01 -0.453977D+01
      3   0.650997D+01 -0.462803D+01  0.850181D+01 -0.380889D+01  0.153515D+02
               126           127           128           129           130 
      1  -0.787686D+01  0.209253D+01  0.203112D+01  0.208125D+01 -0.886643D+00
      2  -0.103584D+02 -0.621144D+01 -0.677963D-01 -0.114018D+01  0.143359D+01
      3   0.567585D+01 -0.331199D+01 -0.127197D+01 -0.191018D+01  0.254826D+01
               131           132           133           134           135 
      1  -0.960216D-01 -0.199804D+01  0.283818D+01  0.303542D+01  0.473994D+01
      2  -0.359771D-03 -0.179177D+00 -0.414491D+01 -0.251340D+00  0.120073D+01
      3   0.318162D+00  0.441468D+00 -0.268230D+01 -0.201149D+01 -0.199622D+01
               136           137           138           139           140 
      1   0.173834D+01 -0.169035D+01 -0.187720D+01  0.331891D+00  0.183504D+00
      2   0.506599D+01  0.299292D-01 -0.184352D+01 -0.494193D+00 -0.788408D-01
      3   0.164329D+01 -0.666464D+00 -0.161653D+01  0.111309D+01 -0.270473D-01
               141           142           143           144           145 
      1  -0.156965D+01 -0.188148D+01  0.386087D+01  0.531181D+01 -0.238648D+01
      2   0.317515D+00 -0.471600D+01 -0.177106D+00 -0.933695D+00 -0.730928D+01
      3  -0.241743D-01 -0.140210D+01  0.160491D+01  0.187358D+01  0.257259D+01
               146           147           148           149           150 
      1   0.257549D+01 -0.142135D+01  0.355569D+00 -0.455454D+00 -0.981955D+00
      2   0.114229D+01 -0.151296D+01  0.106510D+01 -0.965345D-01  0.341066D+00
      3  -0.151613D+01  0.140902D+01  0.515561D+00  0.400628D+00 -0.209221D+00
               151           152           153           154           155 
      1  -0.190988D+01  0.345366D+01 -0.353519D+01 -0.195786D+01 -0.155663D+01
      2  -0.432670D+01  0.690891D-01  0.100870D+01  0.451715D+01  0.400160D+00
      3   0.157352D+01 -0.215981D+01  0.204311D+01 -0.140070D+01 -0.711109D+00
               156           157           158           159           160 
      1   0.127756D+01  0.182235D+00 -0.215825D+00 -0.149905D+01  0.257800D+01
      2  -0.147419D+01 -0.149787D+00 -0.331761D+00 -0.390042D-01 -0.450139D+01
      3   0.124018D+01  0.151590D+01  0.213882D+00 -0.330288D-01  0.193929D+01
               161           162           163           164           165 
      1   0.378698D+01 -0.530524D+01 -0.117969D+01 -0.910609D-01  0.142894D+01
      2  -0.360563D+00 -0.226626D+01 -0.496278D+01  0.138644D+01  0.413819D+01
      3   0.181041D+01 -0.171865D+01 -0.311654D+00 -0.409952D+01  0.111875D+00
               166           167           168           169           170 
      1   0.416450D+00 -0.131597D+01 -0.347478D+01  0.270116D+01 -0.108433D+01
      2   0.221373D+01 -0.835711D+01 -0.717470D+01  0.568258D+01 -0.955889D+01
      3  -0.365109D+01  0.107048D+02  0.577058D+01  0.381071D+01  0.913598D+01
               171           172           173           174           175 
      1  -0.385908D+01  0.198040D+01 -0.310318D+00  0.187632D+01 -0.141337D+01
      2  -0.976465D+01  0.657149D+01 -0.236228D+01  0.570826D+01 -0.174814D+01
      3   0.531314D+01 -0.139166D+00 -0.472480D+01  0.341876D+00 -0.257605D+01
               176           177           178           179           180 
      1   0.819264D+00 -0.302844D+01  0.199916D+01 -0.614863D+00  0.515692D+01
      2   0.358937D+01 -0.483469D+01  0.270086D+01 -0.744536D+01  0.131628D+02
      3   0.445856D+01 -0.247277D+01 -0.274494D+01 -0.585405D+01  0.415831D+01
               181           182           183           184           185 
      1   0.223864D+01  0.124476D+01  0.143503D+01  0.378844D+00 -0.640611D+00
      2  -0.101905D+02  0.180958D+01 -0.639166D+01  0.178536D+01 -0.524665D+01
      3  -0.258288D+01  0.343810D+01 -0.280827D+01  0.599895D+01 -0.572405D+01
               186           187           188           189           190 
      1  -0.192185D+01  0.155582D+01  0.162096D+01  0.315220D+01  0.132376D+01
      2   0.748102D+01 -0.102000D+02  0.703837D+01 -0.217384D+02 -0.580153D+01
      3   0.479799D+01 -0.313402D+01  0.471230D+01 -0.853589D+01  0.562563D+01
               191           192           193           194           195 
      1  -0.954188D+00 -0.303361D+00 -0.153190D+01  0.400109D+01  0.116279D+01
      2   0.165763D+01  0.598050D+01  0.361388D+01 -0.124056D+02 -0.154428D+02
      3  -0.515963D+01 -0.278370D+01 -0.791068D+01  0.166970D+02  0.135653D+02
               196           197           198           199           200 
      1  -0.112465D+01  0.461554D+01  0.231931D+01  0.132903D+00 -0.221131D-01
      2   0.962545D+01 -0.140691D+02 -0.242052D+02  0.128892D+02 -0.394645D+01
      3  -0.431286D+01  0.142635D+02  0.144369D+02  0.494457D+01 -0.736272D+01
               201           202           203           204           205 
      1   0.525700D+00 -0.792595D+00 -0.580704D-01 -0.120529D+01 -0.250646D-01
      2   0.120029D+02 -0.503739D+01  0.504294D+01 -0.928965D+01  0.148855D+02
      3   0.354223D+01 -0.809303D+01  0.683208D+01 -0.389702D+01  0.544847D+01
               206           207           208           209           210 
      1   0.148103D+01  0.685575D+00 -0.199190D+01 -0.196282D+01 -0.545519D+00
      2  -0.854828D+01  0.233084D+02 -0.200308D+01 -0.211355D+01  0.626444D+01
      3  -0.779153D+01  0.801775D+01 -0.134191D+02 -0.139258D+02  0.409415D+01
               211           212           213           214           215 
      1  -0.243205D+01 -0.442645D+01 -0.124079D+01 -0.473400D-02  0.181076D+01
      2  -0.418994D+01 -0.581699D+01  0.640138D+01  0.759774D+01  0.353263D+01
      3  -0.191501D+02 -0.302522D+02  0.827043D+01  0.489247D+01  0.781100D+01
               216           217           218           219           220 
      1   0.269902D+00 -0.369385D+01  0.173738D+01 -0.412374D+01  0.144124D+01
      2  -0.527358D+01  0.533382D+01  0.246658D+00  0.727316D+01 -0.364600D+00
      3  -0.388209D+01  0.664921D+00 -0.450202D+01  0.244010D+01 -0.202700D+01
               221           222           223           224           225 
      1  -0.226131D+01  0.285731D+01 -0.411076D+01  0.451186D+01 -0.120767D+02
      2   0.188929D+01 -0.616782D+01  0.257454D+01 -0.766349D+00  0.209811D+02
      3   0.266013D+01 -0.289235D+01  0.305011D+01 -0.484170D+01  0.343106D+01
               226           227           228           229           230 
      1  -0.345394D+01 -0.901538D+00  0.222546D+01 -0.666500D+00  0.295582D+00
      2   0.146594D+02 -0.271111D+01 -0.323972D+01 -0.158333D+01  0.191597D+01
      3  -0.220008D+02  0.542618D+01  0.483634D+01  0.668009D+01 -0.551296D+01
               231           232           233           234           235 
      1  -0.450000D+00  0.253552D+01  0.132652D+01 -0.164538D+01  0.191881D+01
      2  -0.122462D-01 -0.629444D+01  0.519177D+00  0.333769D+01 -0.123780D+01
      3  -0.137368D+01  0.398245D+01 -0.133426D+00 -0.205772D+01 -0.614420D+01
               236           237           238           239           240 
      1   0.284519D+01 -0.271564D+01  0.434005D+01  0.766404D+01 -0.426823D+01
      2  -0.182131D+01  0.380296D+01 -0.314970D+01 -0.369556D+01  0.387707D+01
      3  -0.839934D+01 -0.149010D+00 -0.585921D+01 -0.266849D+02  0.535246D-01
               241           242           243           244           245 
      1  -0.218396D+01 -0.162849D+01  0.140937D+01  0.462240D+00 -0.651545D+00
      2   0.270576D+01  0.309405D+01 -0.129440D+01 -0.672013D+01  0.586450D+00
      3   0.146078D+01  0.538233D+01 -0.151272D+01 -0.883881D+00 -0.228031D+01
               246           247           248           249           250 
      1  -0.749840D+00 -0.482643D+00  0.829496D+00 -0.237665D+00 -0.123050D+01
      2   0.384510D+01  0.375440D+00 -0.182349D+01 -0.357769D-01  0.156120D+01
      3  -0.118910D+01 -0.161379D+01  0.111660D+01  0.240351D+01 -0.115324D+01
               251           252           253           254           255 
      1   0.322461D+01  0.259192D+01 -0.172451D+01  0.632363D+00 -0.281638D+01
      2  -0.486375D+00 -0.202873D+02  0.927932D+01  0.124363D+01  0.693946D+01
      3   0.332409D+01  0.190084D+01 -0.193064D+02 -0.156508D+02  0.197986D+01
               256           257           258           259           260 
      1  -0.139846D+01 -0.624649D+01  0.462276D+00 -0.660718D+00  0.594106D+01
      2   0.411901D+01  0.107301D+02 -0.354581D+01  0.426732D+01 -0.507897D+01
      3  -0.802622D+01  0.134498D+02 -0.951163D+01  0.108165D+01 -0.119882D+02
               261           262           263           264           265 
      1   0.840452D+01  0.714415D+00 -0.123108D+01  0.872265D+00 -0.213775D+01
      2  -0.186581D+02  0.141458D+00 -0.847816D+00  0.797975D+00 -0.950805D+00
      3   0.592714D+01  0.301581D+01 -0.457925D+01 -0.586337D+00 -0.370268D+01
               266           267           268           269           270 
      1   0.672077D+01 -0.353000D+01  0.119129D+01 -0.313041D+01  0.219604D+01
      2   0.250884D+01 -0.405811D+01  0.101350D+01 -0.384472D+01  0.160551D+01
      3   0.249197D+02 -0.906546D+00  0.228883D+01 -0.105455D+02  0.320791D+01
               271           272           273           274           275 
      1  -0.185157D+01 -0.479455D+00  0.852490D+00 -0.308683D+00 -0.208957D+01
      2   0.484909D+01 -0.449905D+00 -0.194676D+01  0.912381D+00  0.313481D+01
      3   0.110972D+00  0.167723D+01  0.155250D+01  0.132998D+01 -0.187333D+01
               276           277           278           279           280 
      1  -0.162265D+01  0.214990D-01  0.704714D+00 -0.118342D+02  0.827194D+00
      2   0.283666D+01 -0.219390D+01  0.518356D+01  0.239950D+02 -0.356579D+01
      3  -0.256950D+01  0.177656D+01 -0.541502D+01 -0.470610D+01  0.166071D+02
               281           282           283           284           285 
      1   0.530401D-01 -0.216121D+01  0.362880D+00  0.750281D+00 -0.435723D+00
      2   0.239699D+00  0.704808D+01 -0.684375D+00 -0.143695D+01  0.116030D+00
      3  -0.601588D+01 -0.124131D+01 -0.400835D+01  0.106161D+01  0.125842D+01
               286           287           288           289           290 
      1  -0.233618D+01  0.337172D+00 -0.373195D+00  0.150763D+01 -0.523669D+00
      2   0.440712D+01  0.812321D+00  0.498664D+00 -0.248748D+01  0.848185D+00
      3  -0.113263D+01  0.204599D+01  0.959049D+00 -0.495380D+01  0.810012D+01
               291           292           293           294           295 
      1   0.185656D+01 -0.197214D+00  0.412766D+01 -0.495773D+01  0.930044D+00
      2  -0.168874D+01  0.162382D-01 -0.628651D+01  0.469962D+01 -0.215481D+01
      3  -0.215957D+01  0.478314D+01 -0.274572D+02  0.685852D+01 -0.200021D+01
               296           297 
      1  -0.238782D+01  0.251728D+01
      2   0.567593D+01 -0.306191D+01
      3   0.100387D+02 -0.628105D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.790473D+01  0.276689D+01 -0.265373D+02  0.718465D+01 -0.121030D+02
      2   0.470040D+01 -0.258764D+01  0.782836D+01 -0.708979D+01  0.129419D+02
      3   0.320433D+01 -0.179244D+00  0.187089D+02 -0.948656D-01 -0.838931D+00
      4   0.597980D+01  0.302309D+01  0.295752D+01  0.100885D+02 -0.277443D+01
      5  -0.144326D+02  0.300150D+01 -0.583546D+01  0.411787D+01  0.631377D+01
      6   0.307137D+01  0.375705D+01 -0.271751D+01  0.475513D+01 -0.887486D+01
                 6             7             8             9            10 
      1   0.928764D+01  0.343369D+02  0.247424D+01  0.100886D+02  0.449296D+02
      2  -0.107837D+02 -0.218928D+01 -0.549561D+01  0.242857D+01 -0.181543D+02
      3   0.149603D+01 -0.321476D+02  0.302137D+01 -0.125172D+02 -0.267752D+02
      4   0.599304D+01 -0.341479D+01  0.451146D+01  0.310022D+01 -0.108039D+02
      5   0.256719D+01  0.302254D+01  0.197523D+01 -0.102744D+02 -0.986471D+01
      6   0.128304D+02  0.446145D+01  0.380151D+01  0.319172D+01  0.613017D+01
                11            12            13            14            15 
      1   0.701502D+01 -0.508870D+01  0.745780D+01  0.115135D+01  0.125134D+01
      2  -0.574745D+01  0.107641D+01 -0.113986D+02  0.927431D+01  0.118222D+01
      3  -0.126757D+01  0.401228D+01  0.394084D+01 -0.104257D+02 -0.243356D+01
      4   0.111129D+01  0.206826D+00  0.214651D+02 -0.421886D+01 -0.123350D+01
      5  -0.503208D+00  0.915362D+01  0.479413D+01 -0.416977D+00 -0.239838D+01
      6   0.151267D+01 -0.694569D+01  0.823877D+00  0.196622D+01  0.505221D+01
                16            17            18            19            20 
      1  -0.988870D+01 -0.303322D+00 -0.233524D+02  0.786118D+01 -0.609364D+01
      2  -0.897667D+00  0.274161D+01  0.554287D+00 -0.199562D+00  0.460854D+01
      3   0.107864D+02 -0.243829D+01  0.227982D+02 -0.766162D+01  0.148510D+01
      4   0.193174D+01 -0.168725D+01 -0.374466D+01 -0.489154D+01 -0.539540D+00
      5  -0.188610D+02 -0.312120D+01  0.115198D+01  0.138807D+02 -0.460878D+00
      6  -0.378765D+00 -0.243827D+01 -0.211392D+01 -0.200221D+01 -0.481348D+01
                21            22            23            24            25 
      1   0.272753D+02 -0.703929D+00 -0.112463D+02 -0.193499D+01 -0.188855D+02
      2  -0.107307D+02  0.244705D+01  0.841294D+01 -0.556373D+01 -0.301812D+01
      3  -0.165446D+02 -0.174312D+01  0.283340D+01  0.749872D+01  0.219036D+02
      4   0.877138D+00  0.116668D+02  0.339948D+01 -0.540566D+01 -0.467215D+01
      5  -0.110559D+02 -0.417931D+01 -0.459044D+01  0.186381D+01  0.711935D+01
      6   0.704295D+01 -0.450744D+01 -0.514321D+01  0.142638D+02 -0.250561D+01
                26            27            28            29            30 
      1   0.883671D+00  0.121053D+02  0.130992D+02  0.170442D+00  0.184181D+01
      2  -0.328205D+01  0.517239D+01 -0.632911D+00  0.356931D+01  0.161571D+01
      3   0.239837D+01 -0.172777D+02 -0.124662D+02 -0.373975D+01 -0.345752D+01
      4  -0.581057D+01 -0.704717D+00  0.228363D+02  0.225232D+01  0.538586D+00
      5  -0.730034D+00  0.963266D+01  0.102421D+00  0.536238D+00  0.740523D+01
      6   0.610387D+01  0.865562D+00 -0.498973D+00 -0.239118D+01  0.346472D+01
                31            32            33            34            35 
      1  -0.324326D+01  0.179181D+01  0.173170D+01 -0.458763D+01  0.312318D+01
      2   0.503304D+01  0.675285D+01 -0.103738D+01 -0.992081D+00  0.806784D+00
      3  -0.178978D+01 -0.854466D+01 -0.694314D+00  0.557971D+01 -0.392997D+01
      4   0.195596D+02  0.182328D+01  0.203936D+01  0.245411D+00  0.525875D+01
      5   0.841205D+00  0.167154D+01 -0.485015D+00 -0.223571D+02 -0.266784D+00
      6  -0.320461D+01  0.987583D+00  0.296494D+01  0.164892D+01 -0.320853D+01
                36            37            38            39            40 
      1  -0.266753D+02  0.905391D+00 -0.961371D+00 -0.270403D+02 -0.225728D+01
      2   0.136845D+01 -0.581404D+00  0.232590D+01  0.991248D+01  0.132833D+01
      3   0.253068D+02 -0.323986D+00 -0.136453D+01  0.171278D+02  0.928944D+00
      4  -0.255705D+01 -0.131415D+01  0.121846D+01  0.245571D+00  0.561718D+01
      5  -0.458346D+00 -0.221358D+02  0.131558D+01 -0.136850D+01  0.282944D+01
      6  -0.346866D+01  0.468749D+01  0.457989D+01  0.367241D+01  0.657916D+01
                41            42            43            44            45 
      1  -0.835390D+01 -0.136361D+01  0.229307D+02 -0.401860D+01  0.133952D+02
      2   0.936162D+01  0.235191D+01  0.328440D+01  0.159921D+01  0.609303D+00
      3  -0.100773D+01 -0.988306D+00 -0.262150D+02  0.241939D+01 -0.140045D+02
      4   0.223033D+01  0.636800D+01  0.609828D+01  0.530086D+01  0.247470D+01
      5   0.369597D+01  0.248917D+01  0.132710D+02  0.980176D+00 -0.934438D+01
      6   0.270905D+01  0.892501D+01  0.357421D+00  0.386884D+01  0.502414D+01
                46            47            48            49            50 
      1  -0.161685D+01 -0.279335D+01  0.247168D+02  0.494755D+01 -0.108593D+02
      2   0.580604D+01  0.371787D+00 -0.841745D+01 -0.259258D+01  0.106297D+02
      3  -0.418919D+01  0.242156D+01 -0.162994D+02 -0.235498D+01  0.229612D+00
      4   0.273590D+01  0.773064D+00 -0.144815D+01  0.323483D+01 -0.188394D+00
      5   0.241182D+02 -0.139640D+01 -0.657370D+01 -0.579033D+01 -0.324257D+01
      6  -0.452892D+01 -0.259245D+01  0.513449D+00 -0.338368D+01  0.691915D+01
                51            52            53            54            55 
      1  -0.112090D+02 -0.252417D+02 -0.470515D+01  0.136231D+02 -0.321580D+02
      2   0.787686D+01  0.221162D+01  0.471040D+01  0.573860D+01  0.152380D+02
      3   0.333216D+01  0.230301D+02 -0.525446D-02 -0.193617D+02  0.169200D+02
      4  -0.476990D+01  0.408981D+01 -0.377577D+01 -0.238450D+00 -0.253879D+01
      5  -0.819570D-01  0.110996D+02 -0.227834D+00  0.894084D+01  0.243110D+01
      6   0.125250D+02 -0.227366D+01  0.499281D+01  0.225730D+01 -0.461198D+01
                56            57            58            59            60 
      1  -0.111244D+02 -0.159895D+01 -0.440311D+02 -0.276677D+02  0.888026D+01
      2   0.687530D+01  0.110716D+01  0.250337D+02  0.117123D+02 -0.609882D+01
      3   0.424908D+01  0.491792D+00  0.189974D+02  0.159554D+02 -0.278144D+01
      4  -0.197708D+02  0.223685D+01 -0.475382D+02  0.556550D+01  0.111147D+02
      5   0.309772D+01 -0.144391D+02  0.679121D+01  0.118938D+02  0.220917D+02
      6  -0.871653D+00  0.533844D+01  0.257771D+01 -0.674865D+01 -0.972070D+01
                61            62            63            64            65 
      1   0.745194D+01  0.813404D+01 -0.116755D+02 -0.392023D+02  0.111688D+02
      2  -0.880943D+00 -0.471037D+01  0.262711D+01  0.261473D+02 -0.521520D+01
      3  -0.657100D+01 -0.342367D+01  0.904837D+01  0.130550D+02 -0.595364D+01
      4   0.230897D+01  0.131247D+02  0.312620D+02  0.137913D+02  0.252386D+02
      5  -0.298550D+02  0.275930D+02 -0.821161D+01  0.251928D+02 -0.633136D+01
      6   0.127501D+02 -0.116101D+02 -0.736210D+00  0.558575D+01 -0.499476D+00
                66            67            68            69            70 
      1   0.282869D+02  0.492042D+02  0.420882D+02 -0.121936D+02  0.270124D+02
      2  -0.133869D+02 -0.209660D+02 -0.182689D+02  0.287353D+01 -0.130331D+02
      3  -0.149000D+02 -0.282382D+02 -0.238193D+02  0.932011D+01 -0.139793D+02
      4  -0.441148D+01  0.446494D+02  0.790466D+01 -0.138471D+02 -0.732495D+01
      5   0.152428D+02 -0.167776D+02 -0.161730D+02 -0.267256D+02  0.266982D+02
      6   0.598408D+01 -0.317981D+01 -0.149140D+01 -0.604677D+01  0.176423D+01
                71            72            73            74            75 
      1  -0.764990D+01  0.360373D+02  0.468421D+02 -0.129766D+02 -0.288423D+02
      2  -0.254274D+01 -0.174370D+02 -0.278080D+02  0.365845D+01  0.132872D+02
      3   0.101926D+02 -0.186003D+02 -0.190342D+02  0.931810D+01  0.155551D+02
      4  -0.156231D+02 -0.251023D+02 -0.181078D+02 -0.366794D+02  0.124271D+02
      5  -0.272881D+02  0.192109D+02 -0.255198D+02  0.138597D+02 -0.252663D+02
      6  -0.525445D+01  0.782159D+01  0.219106D+01  0.647160D+01 -0.104521D+01
                76            77            78            79            80 
      1  -0.254704D+02 -0.445676D+02  0.203146D+02 -0.314893D+02  0.173177D+02
      2   0.684151D+01  0.227155D+02 -0.218726D+01  0.137478D+02 -0.110151D+01
      3   0.186289D+02  0.218521D+02 -0.181274D+02  0.177415D+02 -0.162162D+02
      4  -0.578955D+02 -0.241375D+02  0.316668D+02  0.153522D+02  0.277501D+02
      5   0.202776D+02  0.346764D+02  0.374753D+02 -0.402553D+02  0.382178D+02
      6   0.107820D+02  0.455188D+01 -0.654948D+01  0.350081D+00 -0.568808D+01
                81            82            83            84            85 
      1  -0.372288D+02  0.497347D+02 -0.918829D+01 -0.125907D+02 -0.148636D+02
      2   0.229783D+02 -0.327786D+02 -0.754954D+01  0.149978D+02 -0.951098D+01
      3   0.142506D+02 -0.169561D+02  0.167378D+02 -0.240710D+01  0.243746D+02
      4   0.368941D+02 -0.483783D+01 -0.284046D+02  0.142645D+01 -0.356479D+02
      5  -0.732612D-02 -0.928116D+01  0.378263D+01 -0.168750D+02  0.821702D+01
      6  -0.603108D+01 -0.580543D+01 -0.221459D+00 -0.504560D+01  0.119211D+01
                86            87            88            89            90 
      1  -0.222116D+02 -0.599693D+00 -0.143291D+02 -0.172614D+01 -0.223070D+02
      2  -0.792472D+01 -0.735753D+00  0.175602D+02  0.489792D+01  0.267903D+02
      3   0.301363D+02  0.133545D+01 -0.323110D+01 -0.317178D+01 -0.448325D+01
      4  -0.371327D+02  0.148293D+02  0.395776D+01  0.239697D+02  0.140617D+02
      5   0.117823D+02  0.235503D+02 -0.231101D+02  0.209151D+02 -0.271856D+02
      6   0.570761D+01  0.955914D+01 -0.354720D+01  0.866062D+01 -0.290461D+01
                91            92            93            94            95 
      1   0.152810D+02 -0.568111D+01  0.284992D+00 -0.135517D+02 -0.197568D+02
      2  -0.112852D+02 -0.244155D+01 -0.265410D+01  0.171886D+01  0.495371D+01
      3  -0.399584D+01  0.812267D+01  0.236911D+01  0.118329D+02  0.148031D+02
      4  -0.208117D+02 -0.173822D+02 -0.503588D+01 -0.452568D+02  0.409140D+01
      5  -0.806167D+00 -0.417880D+01 -0.667412D+01 -0.433440D+01 -0.107278D+02
      6  -0.208395D+01 -0.610944D+00 -0.263137D+01 -0.310823D+01 -0.290215D+01
                96            97            98            99           100 
      1  -0.162270D+01 -0.110398D+02 -0.286440D+01 -0.205250D+01 -0.388935D+01
      2   0.101176D+01 -0.422371D+01 -0.595124D+00  0.113431D+02  0.353632D+01
      3   0.610935D+00  0.152635D+02  0.345952D+01 -0.929060D+01  0.353027D+00
      4  -0.109544D+02 -0.945610D+01 -0.215520D+02  0.276338D+00  0.614300D+01
      5   0.711211D+00 -0.116283D+02  0.182657D+01  0.364031D+02 -0.177014D+02
      6   0.103004D+01 -0.226381D+01  0.160744D+01  0.342272D+01  0.499250D+01
               101           102           103           104           105 
      1   0.195640D+01 -0.849808D+01  0.107224D+02  0.791639D+01  0.464977D+01
      2  -0.432674D+00  0.885285D+01 -0.761431D+01 -0.564112D+01 -0.727015D+01
      3  -0.152373D+01 -0.354771D+00 -0.310810D+01 -0.227527D+01  0.262038D+01
      4   0.166038D+01  0.460563D+01  0.291265D+01 -0.127417D+02  0.108473D+02
      5   0.392478D+01 -0.640615D+01  0.146266D+01  0.102519D+02  0.111922D+02
      6  -0.391838D+01  0.578765D+01  0.359581D+01 -0.972955D+01 -0.837267D+01
               106           107           108           109           110 
      1  -0.250900D+02  0.472948D+01 -0.813068D+01  0.390883D+02 -0.512517D+01
      2   0.173569D+02 -0.454003D+01  0.117746D+02 -0.252859D+02  0.126053D+01
      3   0.773313D+01 -0.189448D+00 -0.364396D+01 -0.138024D+02  0.386465D+01
      4   0.112884D+02 -0.329065D+01  0.110212D+02 -0.131662D+02  0.151287D+02
      5  -0.242625D+02  0.885915D+01 -0.393006D+02  0.356017D+02 -0.386174D+01
      6   0.947122D+01 -0.130628D+02  0.138058D+02 -0.953008D+01  0.282506D+01
               111           112           113           114           115 
      1   0.259841D+02 -0.346378D+01  0.184676D+01  0.124486D+01  0.395496D+02
      2  -0.188724D+02 -0.963839D+00  0.232023D+01 -0.519094D+00 -0.254213D+02
      3  -0.711170D+01  0.442761D+01 -0.416699D+01 -0.725768D+00 -0.141283D+02
      4  -0.772387D+01  0.161919D+02 -0.601807D+01  0.134438D+02 -0.176969D+02
      5   0.267191D+02 -0.656172D+01  0.133394D+02 -0.986209D+01  0.441581D+02
      6  -0.618909D+01  0.500112D+01 -0.688473D+01  0.134475D+02 -0.110123D+02
               116           117           118           119           120 
      1  -0.420097D+00  0.945509D+01  0.152194D+01 -0.118741D+02 -0.949771D+01
      2  -0.328112D+01 -0.306262D+02 -0.122255D+01  0.141909D+02  0.409205D+01
      3   0.370122D+01  0.211711D+02 -0.299395D+00 -0.231686D+01  0.540566D+01
      4   0.266972D+02 -0.117490D+02 -0.179852D+01 -0.369292D+01  0.696930D+01
      5  -0.102781D+02  0.729702D+02 -0.863796D+01  0.245349D+01  0.441170D+01
      6   0.135542D+02 -0.276675D+02  0.482233D+01 -0.976910D-01 -0.185756D+00
               121           122           123           124           125 
      1  -0.627366D+01 -0.959117D+01 -0.511031D+01 -0.110873D+02 -0.700800D+01
      2   0.111697D+02 -0.400901D+00  0.104658D+02  0.500178D-01  0.202000D+02
      3  -0.489603D+01  0.999207D+01 -0.535549D+01  0.110372D+02 -0.131920D+02
      4  -0.202261D+01  0.216938D+02 -0.185121D+02  0.182562D+02 -0.353066D+02
      5   0.712831D+01 -0.184579D+02 -0.556481D+01  0.101109D+02 -0.127663D+02
      6  -0.449535D+01  0.180744D+02  0.103247D+02 -0.385513D+01  0.154444D+02
               126           127           128           129           130 
      1  -0.509584D+01  0.879969D+00  0.161565D+01 -0.363624D+01 -0.843270D+00
      2  -0.125999D+01 -0.658097D+01 -0.897064D+00 -0.592740D+01  0.126948D+01
      3   0.635583D+01  0.570101D+01 -0.718583D+00  0.956364D+01 -0.426215D+00
      4  -0.109230D+02 -0.579150D+01  0.399884D+01 -0.513580D+01  0.155578D+01
      5  -0.221050D+02  0.168059D+02 -0.282339D+01  0.170103D+02 -0.285356D+01
      6   0.166072D+02 -0.622138D+01  0.393863D+01 -0.668734D+01  0.217773D+01
               131           132           133           134           135 
      1  -0.190635D+01  0.205533D+01 -0.526680D+01  0.461766D+01 -0.207915D+02
      2  -0.481943D+00  0.656888D+00 -0.722288D+01 -0.923149D+00 -0.118953D+02
      3   0.238829D+01 -0.271221D+01  0.124897D+02 -0.369451D+01  0.326868D+02
      4  -0.198037D+01  0.265431D+01 -0.434384D+01  0.429411D+01 -0.659573D+01
      5   0.281578D+01 -0.378343D+01  0.177097D+02 -0.350218D+01  0.258922D+02
      6  -0.181494D+01  0.424619D+01 -0.696512D+01  0.780030D+01 -0.145142D+02
               136           137           138           139           140 
      1  -0.262910D+01 -0.291977D+00  0.545799D+01 -0.573261D+00 -0.203685D+01
      2  -0.549346D+01  0.207365D+00  0.566390D+01  0.110756D+00 -0.732018D+00
      3   0.812256D+01  0.846123D-01 -0.111219D+02  0.462505D+00  0.276887D+01
      4   0.279085D+01  0.206170D+01 -0.261420D+01  0.630213D+00  0.328550D-01
      5  -0.113665D+02 -0.701756D+00  0.142053D+02 -0.797547D-01 -0.182826D+01
      6  -0.290449D+01 -0.224832D+01  0.299256D+01 -0.876541D+00 -0.831703D+00
               141           142           143           144           145 
      1   0.933009D+00  0.798562D+01  0.278203D+01 -0.319515D+02  0.299570D+01
      2  -0.680272D-01  0.630206D+01 -0.897366D+00 -0.161941D+02 -0.511592D+01
      3  -0.864982D+00 -0.142877D+02 -0.188466D+01  0.481455D+02  0.212023D+01
      4  -0.125688D+01 -0.290873D+01 -0.280339D+01  0.399280D+01  0.409729D+00
      5  -0.728166D-01  0.136735D+02  0.144805D+01 -0.226704D+02  0.112712D+02
      6   0.354131D+01  0.435615D+01  0.723412D+01 -0.121123D+02  0.153477D+01
               146           147           148           149           150 
      1  -0.621538D+00 -0.149644D+01 -0.858444D+00 -0.612384D+00  0.147240D+01
      2   0.675925D+00 -0.403638D+01  0.650491D+00 -0.921756D+00  0.656118D+00
      3  -0.543874D-01  0.553282D+01  0.207953D+00  0.153414D+01 -0.212852D+01
      4   0.295565D+01  0.728914D+00  0.157466D+01 -0.107951D+01  0.852891D+00
      5  -0.103389D+01  0.102957D+02 -0.132535D+01  0.232878D+01 -0.199443D+01
      6   0.167343D+01  0.159091D+01  0.308802D+00 -0.717848D+00  0.140967D+01
               151           152           153           154           155 
      1  -0.359795D+01  0.864957D+00 -0.151680D+02 -0.237553D+00  0.117120D+01
      2  -0.556498D+01  0.106975D+01 -0.908031D+01 -0.501700D+01 -0.973774D+00
      3   0.916293D+01 -0.193471D+01  0.242483D+02  0.525456D+01 -0.197424D+00
      4   0.154326D+01  0.266557D+01  0.109113D+01 -0.167822D+01  0.197869D+01
      5   0.129914D+02 -0.109589D+01  0.176071D+02 -0.975248D+01  0.405008D+00
      6   0.206900D+01  0.427435D+01  0.379478D+01  0.333082D+01 -0.188351D+01
               156           157           158           159           160 
      1   0.231425D+01 -0.965487D+00 -0.190930D+01  0.876060D+00  0.368791D+01
      2   0.483078D+01  0.370766D+00 -0.632030D+00  0.323264D+00  0.662052D+01
      3  -0.714503D+01  0.594721D+00  0.254133D+01 -0.119932D+01 -0.103084D+02
      4   0.218765D+01  0.120362D+01 -0.572493D+00 -0.134765D+01  0.160508D+01
      5   0.118462D+02  0.415165D+00 -0.214121D+01 -0.591634D+00  0.130735D+02
      6  -0.389296D+01 -0.129174D+01  0.250238D+00  0.274396D+01 -0.366858D+01
               161           162           163           164           165 
      1  -0.172040D+01 -0.243739D+02  0.118600D+02 -0.532849D+01 -0.691033D+01
      2   0.119020D+01 -0.129941D+02 -0.409607D+01  0.713349D+00  0.282204D+01
      3   0.530201D+00  0.373680D+02 -0.776391D+01  0.461514D+01  0.408829D+01
      4  -0.260394D+01 -0.274057D+01 -0.124781D+02  0.147348D+02  0.638204D+01
      5  -0.267349D+00 -0.207476D+02 -0.117096D+02  0.483986D+01  0.871845D+01
      6   0.591761D+01  0.104873D+02  0.540805D+01 -0.232067D+01 -0.281893D+01
               166           167           168           169           170 
      1  -0.292268D+01 -0.322188D+01 -0.375611D+01 -0.197094D+02 -0.598709D+01
      2  -0.292134D+01  0.126946D+02  0.593663D+01  0.867401D+01  0.658135D+01
      3   0.584402D+01 -0.947272D+01 -0.218052D+01  0.110354D+02 -0.594266D+00
      4   0.229876D+02 -0.317809D+02 -0.174306D+02  0.135770D+02 -0.227887D+02
      5   0.760404D+01 -0.159183D+02 -0.127652D+02  0.190937D+02 -0.174967D+02
      6  -0.572702D+01  0.126732D+02  0.103777D+02 -0.890735D+01  0.124171D+02
               171           172           173           174           175 
      1   0.620110D-01  0.162746D+02 -0.412043D+01  0.942974D+01  0.184273D-01
      2  -0.759611D+00 -0.808994D+01  0.275167D-01 -0.456864D+01 -0.246261D+01
      3   0.697600D+00 -0.818466D+01  0.409292D+01 -0.486110D+01  0.244418D+01
      4  -0.203455D+02 -0.118310D+02  0.138072D+02 -0.829805D+01  0.145028D+02
      5  -0.205209D+02  0.158271D+02 -0.646761D+01  0.126192D+02 -0.598417D+01
      6   0.122749D+02 -0.537615D+01  0.247887D+01 -0.345447D+01  0.388735D+01
               176           177           178           179           180 
      1   0.190477D+01  0.588759D+00  0.196355D+02  0.922464D+00  0.166113D+01
      2   0.326819D+01 -0.227291D+01 -0.985209D+01 -0.269437D+01 -0.319052D+01
      3  -0.517297D+01  0.168415D+01 -0.978337D+01  0.177191D+01  0.152939D+01
      4  -0.161119D+02  0.958886D+01 -0.127453D+02  0.157153D+02 -0.177908D+02
      5   0.907625D+01 -0.934406D+01  0.178268D+02 -0.155704D+02  0.270616D+02
      6  -0.582033D+01  0.755580D+01 -0.663232D+01  0.902477D+01 -0.105741D+02
               181           182           183           184           185 
      1  -0.111474D+02  0.397294D+01 -0.164319D+02  0.236568D+01 -0.158644D+02
      2   0.305555D+01 -0.212994D+01  0.582986D+01 -0.174890D+01  0.892825D+01
      3   0.809180D+01 -0.184300D+01  0.106021D+02 -0.616776D+00  0.693614D+01
      4  -0.144825D+01 -0.495669D+01  0.685303D+00 -0.339856D+01  0.774191D+01
      5  -0.900240D+01  0.117348D+01 -0.460538D+01  0.594573D+00 -0.600946D+01
      6  -0.492555D+01  0.191780D+01 -0.443164D+01  0.191742D+01 -0.622593D+01
               186           187           188           189           190 
      1   0.862614D+01 -0.249978D+02  0.797788D+01 -0.255041D+02  0.109018D+02
      2  -0.388038D+01  0.100105D+02 -0.175143D+01  0.402807D+00 -0.807366D+01
      3  -0.474575D+01  0.149872D+02 -0.622646D+01  0.251013D+02 -0.282810D+01
      4  -0.581212D+01 -0.331413D+00 -0.711738D+01  0.999766D+01 -0.114390D+02
      5   0.126777D+02 -0.229001D+01  0.116208D+02 -0.328680D+02 -0.148626D+02
      6   0.986915D+01 -0.298134D+01  0.796050D+01 -0.140530D+02  0.293565D+01
               191           192           193           194           195 
      1  -0.114390D+02 -0.126496D+02 -0.226730D+02  0.125178D+02  0.606322D+01
      2   0.673004D+01  0.824973D+01  0.140827D+02 -0.778281D+01 -0.886042D+01
      3   0.470899D+01  0.439992D+01  0.859027D+01 -0.473502D+01  0.279720D+01
      4   0.109986D+02  0.616828D+01  0.225731D+02 -0.312003D+02 -0.266060D+02
      5   0.726469D+01  0.164317D+02  0.161071D+02 -0.275349D+02 -0.317150D+02
      6  -0.186071D+01 -0.135093D+01 -0.455237D+01  0.849767D+01  0.848980D+01
               196           197           198           199           200 
      1  -0.237808D+02  0.376182D+01  0.145497D+02  0.494267D+02 -0.115405D+02
      2   0.177203D+02 -0.750497D+01 -0.218627D+02 -0.242324D+02  0.564648D+01
      3   0.606053D+01  0.374315D+01  0.731297D+01 -0.251943D+02  0.589400D+01
      4   0.111444D+02 -0.264142D+02 -0.273384D+02 -0.105023D+02  0.140706D+02
      5   0.329080D+02 -0.286508D+02 -0.520521D+02  0.240706D+02 -0.736783D+01
      6  -0.276050D+01  0.827076D+01  0.788690D+01 -0.476846D+00 -0.578629D+00
               201           202           203           204           205 
      1   0.255768D+02 -0.205541D+02  0.178582D+02 -0.990347D+01  0.546093D+02
      2  -0.121384D+02  0.101075D+02 -0.743944D+01  0.346008D+01 -0.276560D+02
      3  -0.134384D+02  0.104466D+02 -0.104187D+02  0.644339D+01 -0.269532D+02
      4  -0.730424D+01  0.216326D+02 -0.131398D+02  0.828677D+01 -0.116697D+02
      5   0.212143D+02 -0.992630D+01  0.789732D+01 -0.164015D+02  0.325506D+02
      6   0.136094D+00 -0.238905D+00 -0.138899D+01  0.277657D+01 -0.872949D-01
               206           207           208           209           210 
      1  -0.119039D+02  0.284570D+02  0.500781D+02  0.299285D+02 -0.965437D+01
      2   0.478681D+01 -0.164948D+02 -0.219709D+02 -0.123832D+02  0.554298D+01
      3   0.711706D+01 -0.119622D+02 -0.281072D+02 -0.175454D+02  0.411139D+01
      4   0.141219D+02 -0.152285D+02  0.369577D+02  0.315463D+02 -0.100765D+02
      5  -0.156818D+02  0.425534D+02 -0.155935D+02 -0.114647D+02  0.140371D+02
      6   0.247222D+01  0.222712D+00 -0.648345D+01 -0.495902D+01  0.301446D+01
               211           212           213           214           215 
      1   0.551690D+02  0.312590D+02 -0.121671D+02 -0.105618D+02 -0.732465D+01
      2  -0.220744D+02 -0.563611D+01  0.590878D+01  0.694024D+01  0.342311D+01
      3  -0.330946D+02 -0.256229D+02  0.625831D+01  0.362156D+01  0.390154D+01
      4   0.528897D+02  0.633272D+02 -0.184899D+02 -0.124116D+02 -0.156255D+02
      5  -0.215707D+02 -0.196848D+02  0.151386D+02  0.225486D+02  0.103913D+02
      6  -0.951218D+01 -0.119883D+02  0.799024D+01  0.517183D+01  0.736023D+01
               216           217           218           219           220 
      1   0.138201D+02  0.115591D+02 -0.140994D+01  0.126733D+02 -0.668129D+01
      2  -0.837903D+01 -0.102804D+02  0.378259D+01 -0.129164D+02  0.691469D+01
      3  -0.544106D+01 -0.127869D+01 -0.237265D+01  0.243143D+00 -0.233405D+00
      4   0.990640D+01  0.322643D+01  0.866550D+01  0.335476D+01  0.574515D+01
      5  -0.143774D+02  0.195079D+02  0.840436D-01  0.231650D+02 -0.604828D+01
      6  -0.441615D+01  0.391578D+01  0.217070D+01  0.496448D+01  0.880045D+00
               221           222           223           224           225 
      1   0.399695D+01 -0.251220D+01  0.150520D+02 -0.199437D+01  0.358742D+01
      2  -0.309799D+01  0.675200D+01 -0.155634D+02  0.465507D+01 -0.243352D+02
      3  -0.898954D+00 -0.423980D+01  0.511346D+00 -0.266070D+01  0.207478D+02
      4  -0.128071D+01  0.466127D+01  0.448790D+01  0.750619D+01  0.202199D+01
      5   0.645408D+01 -0.141380D+02  0.243385D+02 -0.167334D+01  0.534991D+02
      6  -0.133860D+01  0.793219D+00  0.549408D+01  0.439311D+01  0.138607D+02
               226           227           228           229           230 
      1  -0.556994D+02  0.127602D+02  0.117506D+02  0.712728D+01 -0.119877D+02
      2   0.308216D+02 -0.114168D+02 -0.651147D+01 -0.611714D+01  0.111543D+02
      3   0.248778D+02 -0.134346D+01 -0.523917D+01 -0.101014D+01  0.833395D+00
      4  -0.154270D+02 -0.351446D+01 -0.119137D+01  0.227358D+00  0.302518D+01
      5  -0.152931D+01 -0.354028D+01 -0.315861D+01 -0.181226D+01 -0.721578D+00
      6   0.332185D+01 -0.491609D+01 -0.494257D+01 -0.383578D+01  0.186156D+01
               231           232           233           234           235 
      1  -0.433552D+01  0.958754D+01 -0.325538D+01 -0.721448D+01  0.130773D+02
      2   0.275653D+01 -0.505296D+01  0.125025D+01  0.107749D+01  0.313294D+01
      3   0.157899D+01 -0.453458D+01  0.200512D+01  0.613699D+01 -0.162103D+02
      4  -0.116063D+01  0.436019D+00 -0.276698D+01 -0.165761D+01  0.278102D+02
      5  -0.208782D+01  0.703278D+00 -0.593804D+00  0.468885D+01  0.204427D+01
      6   0.158697D+01 -0.397708D+01  0.262726D+01  0.311971D+01  0.171693D+01
               236           237           238           239           240 
      1   0.133092D+02 -0.694842D+00  0.127074D+02 -0.224797D+01 -0.116789D+01
      2   0.578552D+01 -0.123760D+01  0.942807D+01  0.391905D+02 -0.109020D+01
      3  -0.190947D+02  0.193244D+01 -0.221354D+02 -0.369426D+02  0.225809D+01
      4   0.328785D+02  0.781278D-01  0.385166D+02  0.710774D+02 -0.161781D+01
      5   0.240914D+01  0.744414D+01  0.154801D+01  0.158036D+01  0.650194D+01
      6   0.228511D+01  0.368253D+01  0.167330D+01  0.475954D+01  0.658209D+01
               241           242           243           244           245 
      1  -0.459762D+01 -0.228342D+00  0.323036D+01  0.177722D+01  0.110220D+01
      2  -0.125970D+01 -0.624952D+01  0.460895D+00 -0.601868D+01  0.157635D+00
      3   0.585732D+01  0.647786D+01 -0.369126D+01  0.424147D+01 -0.125984D+01
      4  -0.675615D+01 -0.130354D+02  0.780477D+01  0.231628D+01  0.512037D+01
      5   0.804354D+01  0.616647D+01 -0.132884D+01 -0.149112D+02  0.800406D+00
      6   0.417822D+01  0.656310D+01 -0.211430D+01 -0.120715D+01 -0.217633D+00
               246           247           248           249           250 
      1  -0.844813D+01  0.131374D+01  0.151508D+01  0.322623D+00 -0.100503D+02
      2   0.699444D+01  0.320191D+00 -0.183288D+01 -0.137856D+01  0.103846D+02
      3   0.145369D+01 -0.163393D+01  0.317799D+00  0.105594D+01 -0.334317D+00
      4  -0.414451D+00  0.860830D+01 -0.133086D+01 -0.516930D+01 -0.151624D+01
      5   0.136631D+02  0.584098D+00 -0.574839D+01 -0.243570D+00  0.192440D+02
      6   0.975708D+00 -0.144135D+01 -0.719762D+00  0.507042D+01  0.931447D+00
               251           252           253           254           255 
      1   0.449881D+00 -0.409044D+01 -0.862507D+02 -0.916786D+01  0.854520D+01
      2  -0.853789D+00 -0.170692D+02  0.470435D+02  0.145847D+02 -0.611902D+01
      3   0.403908D+00  0.211596D+02  0.392071D+02 -0.541688D+01 -0.242618D+01
      4  -0.804870D+01  0.835825D+00 -0.159583D+02  0.253449D+02  0.295125D+01
      5  -0.584976D+00 -0.455444D+02  0.117586D+02  0.138601D+00  0.877807D+01
      6   0.391102D+01 -0.437064D+01  0.616294D+01 -0.283312D-02  0.475861D+01
               256           257           258           259           260 
      1   0.159631D+02  0.340307D+02 -0.528229D+01  0.186917D+02 -0.448319D+01
      2   0.355688D+01 -0.258247D+02  0.111776D+02 -0.547034D+01  0.147317D+02
      3  -0.195200D+02 -0.820602D+01 -0.589528D+01 -0.132214D+02 -0.102485D+02
      4   0.394681D+02  0.630540D+00  0.177562D+02  0.126071D+02  0.245876D+02
      5   0.456299D+01  0.195717D+02 -0.507320D+01  0.108405D+02 -0.797580D+01
      6   0.358560D+01  0.136856D+02 -0.232182D+01  0.467590D+01 -0.397910D+01
               261           262           263           264           265 
      1   0.172328D+02  0.440980D+01 -0.675368D+01  0.564688D+00 -0.452068D+01
      2  -0.623336D+01  0.370901D+01 -0.369877D+01  0.279561D+00 -0.752570D+01
      3  -0.109994D+02 -0.811881D+01  0.104525D+02 -0.844250D+00  0.120464D+02
      4  -0.303953D+01 -0.135018D+02  0.194830D+02 -0.136455D+01  0.228540D+02
      5  -0.290571D+02 -0.440566D+00 -0.265734D+00  0.230367D+01 -0.263455D+00
      6  -0.140597D+02 -0.385166D+00  0.274328D+00 -0.830553D+00  0.607818D+00
               266           267           268           269           270 
      1  -0.100166D+02 -0.135428D+00  0.181173D+01  0.259424D+01 -0.138795D+01
      2   0.377133D+02 -0.212616D+01  0.363922D+01 -0.142178D+02  0.427270D+01
      3  -0.276967D+02  0.226159D+01 -0.545096D+01  0.116235D+02 -0.288475D+01
      4  -0.573517D+02  0.260555D+01 -0.101108D+02  0.240354D+02 -0.724926D+01
      5   0.828960D+00 -0.726108D+01  0.315145D+01 -0.645997D+01  0.229836D+01
      6  -0.108560D+01  0.517048D+01 -0.256600D+01  0.723813D+01 -0.262721D+01
               271           272           273           274           275 
      1   0.572361D+01  0.301780D+01  0.633002D+01 -0.212685D+01 -0.778784D+01
      2  -0.526219D+01 -0.354685D+01 -0.262963D+01 -0.220070D-01  0.546102D+01
      3  -0.461415D+00  0.529053D+00 -0.370039D+01  0.214886D+01  0.232683D+01
      4   0.102145D+01 -0.336428D+01  0.139139D+01 -0.207561D+01  0.142513D+01
      5   0.430916D+01 -0.294814D+00  0.198395D+00  0.746878D+00  0.484642D+01
      6   0.224181D+01 -0.104030D+01 -0.144218D+01  0.214833D+00  0.293097D+01
               276           277           278           279           280 
      1  -0.261676D+01  0.114636D+02 -0.305996D+01 -0.127994D+02  0.130741D+03
      2   0.199625D+01 -0.531374D+01  0.355688D+01 -0.314032D+01 -0.622454D+02
      3   0.620509D+00 -0.614981D+01 -0.496917D+00  0.159397D+02 -0.684961D+02
      4   0.469971D+01  0.875152D+01  0.123526D+02  0.862589D+01  0.480249D+02
      5   0.527152D+01  0.773998D+01  0.100688D+02  0.414771D+02 -0.523096D+01
      6   0.658724D+01  0.213060D+01  0.941888D+01  0.228804D+02 -0.226793D+01
               281           282           283           284           285 
      1   0.118562D+02 -0.538316D+01 -0.624619D+01  0.829242D+01  0.837574D+00
      2  -0.135210D+01  0.300187D+01  0.643123D+01 -0.187057D+01 -0.176083D+01
      3  -0.105041D+02  0.238129D+01 -0.185040D+00 -0.642185D+01  0.923252D+00
      4   0.196903D+02 -0.907270D+00  0.124456D+02  0.399119D+01 -0.254906D+01
      5   0.456362D-01  0.124085D+02 -0.297618D+00 -0.281944D+01 -0.923726D-01
      6   0.277045D+00  0.364502D+01 -0.217860D+00 -0.143271D+01  0.780870D+00
               286           287           288           289           290 
      1  -0.121574D+02 -0.455323D+00  0.100950D+02 -0.154563D-01  0.141547D+02
      2   0.586142D+01 -0.176453D+01 -0.614720D+01  0.312584D+01 -0.145368D+02
      3   0.629596D+01  0.221986D+01 -0.394776D+01 -0.311038D+01  0.382169D+00
      4  -0.581347D+01 -0.509459D+01  0.465037D+01  0.388805D+01 -0.678249D+01
      5   0.160544D+02  0.255891D+01 -0.718201D+00 -0.353624D+01  0.137181D+01
      6   0.442355D+01  0.209646D+01  0.463167D+00 -0.273962D+01  0.188225D+01
               291           292           293           294           295 
      1  -0.522443D+01  0.890530D+01 -0.306564D+02  0.690082D+01 -0.785185D+01
      2   0.375680D+01 -0.433187D+01  0.478740D+02 -0.100036D+02  0.284402D+01
      3   0.146763D+01 -0.457343D+01 -0.172175D+02  0.310281D+01  0.500783D+01
      4  -0.680982D+00  0.719778D+01  0.446865D+02 -0.106388D+02 -0.650880D+01
      5  -0.275194D+01 -0.817515D+00 -0.130097D+02  0.915141D+01  0.811769D+00
      6  -0.295226D+01 -0.380238D+00 -0.106235D+02  0.877801D+01 -0.246000D+00
               296           297 
      1   0.860032D+01 -0.910806D+01
      2  -0.136702D+02  0.799263D+01
      3   0.506987D+01  0.111543D+01
      4  -0.185468D+02  0.898811D+01
      5   0.112162D+02 -0.600850D+01
      6   0.108812D+02 -0.641120D+01
 Leave Link  716 at Wed Sep  8 14:35:44 2021, MaxMem=  6442450944 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.216163D+03 -0.393826D+00  0.606732D+00
      2  -0.393826D+00  0.132653D+03 -0.188072D+00
      3   0.606732D+00 -0.188072D+00  0.152261D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.677183D+01 -0.209221D+01  0.232066D+02
      2  -0.427148D+02  0.435496D+01  0.430464D+02
      3  -0.970750D+02 -0.357447D+02 -0.164936D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.233954D+03  0.381213D+02 -0.736924D+02
      2  -0.125633D+03 -0.911653D+01  0.329210D+02
      3  -0.108321D+03 -0.290047D+02  0.407714D+02
      4  -0.415371D+02  0.664535D+02  0.991524D+01
      5  -0.460985D+02  0.661402D+01  0.923128D+02
      6   0.674690D+01  0.107043D+02 -0.502968D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    99 ND12= 1 LenFil=    3567:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.997514D+01  0.550057D+00  0.737223D-01  0.160123D+01  0.211032D+01
      2   0.550057D+00  0.133372D+01 -0.919140D-01  0.211032D+01 -0.158543D+01
      3   0.737223D-01 -0.919140D-01  0.285098D+01  0.727628D+00  0.318765D+01
                 6             7             8             9            10 
      1   0.727628D+00  0.125035D+02  0.623774D+00 -0.129057D+01  0.286416D+02
      2   0.318765D+01  0.623774D+00  0.135928D+01  0.434259D+00  0.119509D+01
      3  -0.288287D+00 -0.129057D+01  0.434259D+00  0.354359D-01 -0.149097D+01
                11            12            13            14            15 
      1   0.119509D+01 -0.149097D+01 -0.149140D+01  0.470194D+01  0.527471D+00
      2   0.168298D+01 -0.211245D+00  0.470194D+01 -0.864518D+00 -0.246060D+00
      3  -0.211245D+00  0.302465D+01  0.527471D+00 -0.246060D+00 -0.616339D+00
                16            17            18            19            20 
      1  -0.302151D+01  0.325395D+00  0.652599D+00  0.119624D+02 -0.418771D+00
      2   0.325395D+00 -0.358293D+00 -0.769057D+00 -0.418771D+00 -0.135361D+01
      3   0.652599D+00 -0.769057D+00  0.837799D+00 -0.279848D+00  0.106833D+01
                21            22            23            24            25 
      1  -0.279848D+00 -0.921553D+00 -0.175278D+01  0.563418D+00  0.109917D+02
      2   0.106833D+01 -0.175278D+01 -0.359396D+00  0.324539D+01 -0.739479D+00
      3  -0.237083D+01  0.563418D+00  0.324539D+01  0.566449D+00  0.107307D+01
                26            27            28            29            30 
      1  -0.739479D+00  0.107307D+01 -0.253870D+02 -0.476122D+00  0.486492D+00
      2   0.203396D+01  0.274334D+00 -0.476122D+00 -0.149074D+01 -0.121034D+00
      3   0.274334D+00  0.479450D+00  0.486492D+00 -0.121034D+00 -0.250607D+01
                31            32            33            34            35 
      1   0.297335D+01 -0.503544D+01 -0.681302D-01  0.132418D+01 -0.101347D+00
      2  -0.503544D+01  0.576407D+00 -0.140474D+00 -0.101347D+00 -0.588923D+00
      3  -0.681302D-01 -0.140474D+00  0.122874D+00 -0.472480D+00 -0.459652D+00
                36            37            38            39            40 
      1  -0.472480D+00  0.815214D+01 -0.284556D+00 -0.321499D+00 -0.349762D-01
      2  -0.459652D+00 -0.284556D+00 -0.119099D+01 -0.798268D+00 -0.166363D+01
      3   0.108446D+01 -0.321499D+00 -0.798268D+00 -0.200318D+01 -0.534763D+00
                41            42            43            44            45 
      1  -0.166363D+01 -0.534763D+00 -0.122270D+02  0.416651D+00  0.321442D+00
      2   0.660951D+00 -0.273881D+01  0.416651D+00 -0.153641D+01 -0.259402D-01
      3  -0.273881D+01 -0.660927D-01  0.321442D+00 -0.259402D-01 -0.109301D+01
                46            47            48            49            50 
      1  -0.990853D+01  0.219415D-01  0.620751D+00  0.194532D+01  0.133265D+01
      2   0.219415D-01  0.103857D+01  0.107283D+00  0.133265D+01 -0.486214D+00
      3   0.620751D+00  0.107283D+00  0.100637D+01 -0.624687D+00 -0.313076D+01
                51            52            53            54            55 
      1  -0.624687D+00 -0.102505D+02 -0.299361D+00 -0.351585D+00 -0.133361D+02
      2  -0.313076D+01 -0.299361D+00 -0.167637D+01  0.164563D-02 -0.219297D+01
      3  -0.773518D+00 -0.351585D+00  0.164563D-02 -0.730727D+00  0.533720D+00
                56            57            58            59            60 
      1  -0.219297D+01  0.533720D+00 -0.724069D+01 -0.709988D+01  0.513129D+00
      2  -0.296079D+01  0.390161D+00 -0.709988D+01 -0.672591D-01  0.159650D+01
      3   0.390161D+00 -0.195632D+01  0.513129D+00  0.159650D+01  0.298025D+01
                61            62            63            64            65 
      1   0.418483D+01  0.602505D+00 -0.383801D+01 -0.864941D+00  0.252433D+01
      2   0.602505D+00  0.201330D+01  0.379552D+01  0.252433D+01  0.339952D+01
      3  -0.383801D+01  0.379552D+01 -0.891390D+00  0.255827D+01 -0.924445D+00
                66            67            68            69            70 
      1   0.255827D+01  0.113186D+02  0.641444D+01 -0.194897D+01  0.719787D+00
      2  -0.924445D+00  0.641444D+01  0.131216D+01 -0.181186D+01 -0.124158D+01
      3   0.231513D+01 -0.194897D+01 -0.181186D+01 -0.333657D+01  0.345589D+01
                71            72            73            74            75 
      1  -0.124158D+01  0.345589D+01  0.450057D+01 -0.154672D+01 -0.226874D+01
      2  -0.219714D+01 -0.364141D+01 -0.154672D+01 -0.333239D+01  0.113737D+01
      3  -0.364141D+01  0.298666D+01 -0.226874D+01  0.113737D+01 -0.238510D+01
                76            77            78            79            80 
      1  -0.359733D+01 -0.535749D+01  0.157032D+01 -0.219034D+01  0.128970D+01
      2  -0.535749D+01 -0.211424D+01  0.302207D+01  0.128970D+01  0.273568D+01
      3   0.157032D+01  0.302207D+01  0.343436D+01 -0.363285D+01  0.364517D+01
                81            82            83            84            85 
      1  -0.363285D+01  0.567825D+01 -0.246159D+01 -0.182282D+01 -0.382392D+01
      2   0.364517D+01 -0.246159D+01 -0.319941D+01  0.758324D+00 -0.400829D+01
      3  -0.210411D-01 -0.182282D+01  0.758324D+00 -0.199643D+01  0.141773D+01
                86            87            88            89            90 
      1  -0.400829D+01  0.141773D+01 -0.167932D+01  0.119959D+01 -0.249307D+01
      2  -0.388259D+01  0.195183D+01  0.119959D+01  0.310563D+01  0.261413D+01
      3   0.195183D+01  0.282601D+01 -0.249307D+01  0.261413D+01 -0.298532D+01
                91            92            93            94            95 
      1   0.306096D+01  0.263915D+01 -0.312263D+00  0.929138D+00  0.613751D+01
      2   0.263915D+01  0.218290D+01  0.709749D+00  0.613751D+01 -0.175682D+01
      3  -0.312263D+00  0.709749D+00  0.107466D+01  0.572277D+00  0.143355D+01
                96            97            98            99           100 
      1   0.572277D+00  0.335211D+01  0.499905D+00  0.165063D+01  0.221400D+01
      2   0.143355D+01  0.499905D+00  0.316710D+01 -0.329841D+00 -0.795205D+00
      3  -0.315908D+00  0.165063D+01 -0.329841D+00 -0.478597D+01  0.182358D+01
               101           102           103           104           105 
      1  -0.795205D+00  0.182358D+01 -0.753540D+00 -0.140511D+01 -0.572645D+00
      2  -0.272837D+00 -0.523667D+00 -0.140511D+01  0.265007D+01 -0.142569D+01
      3  -0.523667D+00  0.775155D+00 -0.572645D+00 -0.142569D+01 -0.180397D+00
               106           107           108           109           110 
      1   0.274132D+01 -0.137999D+01  0.186462D+01 -0.457946D+01  0.812474D+00
      2  -0.137999D+01 -0.172092D+00 -0.100579D+01  0.812474D+00 -0.102914D+01
      3   0.186462D+01 -0.100579D+01  0.442546D+01 -0.372363D+01  0.382657D+00
               111           112           113           114           115 
      1  -0.372363D+01  0.657076D+00 -0.129268D+01  0.703496D+00 -0.753263D+01
      2   0.382657D+00 -0.129268D+01  0.392963D+00 -0.178427D+01  0.213745D+01
      3  -0.213111D+01  0.703496D+00 -0.178427D+01  0.935542D+00 -0.407050D+01
               116           117           118           119           120 
      1   0.213745D+01 -0.407050D+01  0.633529D+00  0.357344D+00  0.122203D+01
      2  -0.358790D+01  0.131551D+01  0.357344D+00  0.192078D+01 -0.220845D+00
      3   0.131551D+01 -0.905957D+01  0.122203D+01 -0.220845D+00  0.163791D+00
               121           122           123           124           125 
      1   0.752810D+00  0.133268D+01 -0.526596D+00  0.297167D+01 -0.182547D+01
      2   0.133268D+01 -0.261389D+01  0.274047D+01 -0.182547D+01  0.525266D+01
      3  -0.526596D+00  0.274047D+01  0.219014D+00 -0.344249D+00  0.166666D+01
               126           127           128           129           130 
      1  -0.344249D+00  0.345305D+01 -0.404398D+00  0.268327D+01 -0.109532D+01
      2   0.166666D+01 -0.404398D+00  0.508169D+00 -0.502999D+00  0.175675D+00
      3   0.305875D+01  0.268327D+01 -0.502999D+00  0.281569D+01 -0.575147D+00
               131           132           133           134           135 
      1   0.175675D+00 -0.575147D+00  0.287746D+01 -0.421897D+00  0.336357D+01
      2  -0.250017D+00  0.321917D+00 -0.421897D+00  0.101982D+01 -0.101659D+01
      3   0.321917D+00 -0.771796D+00  0.336357D+01 -0.101659D+01  0.670328D+01
               136           137           138           139           140 
      1  -0.231033D+01 -0.826004D-01  0.228089D+01  0.174398D+00 -0.102078D-01
      2  -0.826004D-01 -0.238416D+00  0.694133D-01 -0.102078D-01 -0.970560D-01
      3   0.228089D+01  0.694133D-01 -0.242305D+01 -0.681900D-01  0.253910D+00
               141           142           143           144           145 
      1  -0.681900D-01  0.221017D+01  0.242000D+00 -0.301804D+01 -0.358234D+01
      2   0.253910D+00  0.242000D+00  0.905657D+00 -0.532121D+00  0.506091D+00
      3  -0.268122D+00 -0.301804D+01 -0.532121D+00  0.851500D+01 -0.213799D+01
               146           147           148           149           150 
      1   0.506091D+00 -0.213799D+01  0.876892D+00 -0.173333D+00  0.483162D+00
      2  -0.546495D+00  0.213600D+00 -0.173333D+00  0.182099D+00 -0.223295D+00
      3   0.213600D+00 -0.199029D+01  0.483162D+00 -0.223295D+00  0.585522D+00
               151           152           153           154           155 
      1  -0.278709D+01  0.208509D+00 -0.288634D+01  0.220654D+01  0.420944D-01
      2   0.208509D+00 -0.839758D+00  0.435685D+00  0.420944D-01  0.248835D+00
      3  -0.288634D+01  0.435685D+00 -0.560242D+01 -0.216309D+01  0.154649D+00
               156           157           158           159           160 
      1  -0.216309D+01 -0.195135D+00  0.582923D-03  0.100789D+00 -0.244625D+01
      2   0.154649D+00  0.582923D-03 -0.366192D-01 -0.271808D+00 -0.100878D+00
      3   0.211617D+01  0.100789D+00 -0.271808D+00  0.139505D+00  0.296930D+01
               161           162           163           164           165 
      1  -0.100878D+00  0.296930D+01  0.253432D+01 -0.115829D+01 -0.142933D+01
      2  -0.845591D+00 -0.151063D+00 -0.115829D+01  0.135363D+01  0.513043D+00
      3  -0.151063D+00 -0.786278D+01 -0.142933D+01  0.513043D+00  0.765707D+00
               166           167           168           169           170 
      1  -0.147857D+01  0.245449D+01  0.904593D+00 -0.547679D+01  0.863957D+00
      2   0.245449D+01 -0.428183D+01 -0.239319D+01  0.863957D+00 -0.310442D+01
      3   0.904593D+00 -0.239319D+01 -0.186989D+01  0.232524D+01 -0.259180D+01
               171           172           173           174           175 
      1   0.232524D+01  0.243603D+01 -0.885233D+00  0.175640D+01 -0.220042D+00
      2  -0.259180D+01 -0.885233D+00  0.141286D+01 -0.662508D+00  0.166263D+01
      3  -0.299689D+01  0.175640D+01 -0.662508D+00  0.122643D+01 -0.603422D+00
               176           177           178           179           180 
      1   0.166263D+01 -0.603422D+00  0.425609D+01 -0.776660D+00  0.191404D+01
      2  -0.193865D+01  0.116112D+01 -0.776660D+00  0.193483D+01 -0.206440D+01
      3   0.116112D+01 -0.122199D+01  0.191404D+01 -0.206440D+01  0.350431D+01
               181           182           183           184           185 
      1  -0.156426D+01  0.326627D-01 -0.175331D+01 -0.289259D+00 -0.956220D+00
      2   0.326627D-01 -0.111325D+01  0.428947D+00 -0.956220D+00  0.147631D+01
      3  -0.175331D+01  0.428947D+00 -0.132738D+01  0.318285D+00 -0.116904D+01
               186           187           188           189           190 
      1   0.318285D+00 -0.270215D+01  0.185582D+00 -0.109462D+01  0.865947D+00
      2  -0.116904D+01  0.185582D+00 -0.131116D+01  0.181582D+01 -0.104811D+01
      3   0.198477D+01 -0.109462D+01  0.181582D+01 -0.531895D+01 -0.116492D+01
               191           192           193           194           195 
      1  -0.104811D+01 -0.116492D+01 -0.219006D+01  0.188663D+01  0.123040D+01
      2   0.783412D+00  0.447373D+00  0.188663D+01 -0.298426D+01 -0.252677D+01
      3   0.447373D+00  0.112596D+01  0.123040D+01 -0.252677D+01 -0.282839D+01
               196           197           198           199           200 
      1  -0.252492D+01  0.953844D+00  0.260551D+01  0.373544D+01 -0.851991D+00
      2   0.953844D+00 -0.249336D+01 -0.264138D+01 -0.851991D+00  0.110077D+01
      3   0.260551D+01 -0.264138D+01 -0.477903D+01  0.197258D+01 -0.583833D+00
               201           202           203           204           205 
      1   0.197258D+01 -0.162823D+01  0.177480D+01 -0.802742D+00  0.461587D+01
      2  -0.583833D+00  0.177480D+01 -0.115791D+01  0.709463D+00 -0.100459D+01
      3   0.164837D+01 -0.802742D+00  0.709463D+00 -0.141345D+01  0.264883D+01
               206           207           208           209           210 
      1  -0.100459D+01  0.264883D+01  0.431409D+01  0.283535D+01 -0.992961D+00
      2   0.122058D+01 -0.138605D+01  0.283535D+01  0.231724D+01 -0.774943D+00
      3  -0.138605D+01  0.366538D+01 -0.992961D+00 -0.774943D+00  0.939297D+00
               211           212           213           214           215 
      1   0.578326D+01  0.424695D+01 -0.158921D+01 -0.128010D+01 -0.100629D+01
      2   0.424695D+01  0.546422D+01 -0.159873D+01 -0.100629D+01 -0.137735D+01
      3  -0.158921D+01 -0.159873D+01  0.118577D+01  0.178151D+01  0.839892D+00
               216           217           218           219           220 
      1   0.178151D+01  0.135724D+01  0.174655D+00  0.184693D+01 -0.574516D+00
      2   0.839892D+00  0.174655D+00  0.100533D+01  0.302523D-02  0.686879D+00
      3  -0.119830D+01  0.184693D+01  0.302523D-02  0.220016D+01 -0.543405D+00
               221           222           223           224           225 
      1   0.686879D+00 -0.543405D+00  0.231470D+01  0.390133D-01  0.222561D+01
      2  -0.303764D+00  0.664812D+00  0.390133D-01  0.107581D+01 -0.177747D+00
      3   0.664812D+00 -0.162454D+01  0.222561D+01 -0.177747D+00  0.628516D+01
               226           227           228           229           230 
      1  -0.866764D+01  0.524987D+00  0.109459D+01 -0.161890D-01 -0.140531D+01
      2   0.524987D+00 -0.192400D+01 -0.767640D+00 -0.140531D+01  0.115664D+01
      3   0.109459D+01 -0.767640D+00 -0.101356D+01 -0.569502D+00  0.937898D-01
               231           232           233           234           235 
      1  -0.569502D+00  0.101134D+01 -0.464258D+00 -0.650666D+00  0.224691D+01
      2   0.937898D-01 -0.464258D+00 -0.887053D-01  0.172843D+00  0.278696D+01
      3   0.670246D-01 -0.650666D+00  0.172843D+00  0.948081D+00  0.105663D+00
               236           237           238           239           240 
      1   0.278696D+01  0.105663D+00  0.287622D+01  0.383621D+01 -0.142524D+00
      2   0.311746D+01  0.559065D-01  0.383621D+01  0.869569D+01 -0.172185D+00
      3   0.559065D-01  0.751088D+00 -0.142524D+00 -0.172185D+00  0.759799D+00
               241           242           243           244           245 
      1  -0.798782D+00 -0.709166D+00  0.877349D+00  0.210790D+00 -0.406020D+00
      2  -0.709166D+00 -0.166220D+01  0.799769D+00 -0.406020D+00 -0.538785D+00
      3   0.877349D+00  0.799769D+00 -0.251199D+00  0.173516D+01 -0.121161D+00
               246           247           248           249           250 
      1   0.173516D+01 -0.450835D+00 -0.103406D+01 -0.816963D-01  0.283841D+01
      2  -0.121161D+00 -0.103406D+01  0.289756D+00  0.834224D+00 -0.674353D-01
      3  -0.124563D+01 -0.816963D-01  0.834224D+00  0.353231D-01 -0.206196D+01
               251           252           253           254           255 
      1  -0.674353D-01 -0.206196D+01  0.847318D+01 -0.756682D+00 -0.131472D+01
      2   0.117572D+01  0.118222D+00 -0.756682D+00 -0.351738D+01 -0.308084D-01
      3   0.118222D+00  0.639950D+01 -0.131472D+01 -0.308084D-01 -0.997095D+00
               256           257           258           259           260 
      1  -0.573109D+01 -0.427829D+01 -0.581814D+00 -0.421608D+01 -0.830636D+00
      2  -0.427829D+01  0.158828D+01 -0.255325D+01 -0.830636D+00 -0.351683D+01
      3  -0.581814D+00 -0.255325D+01  0.547623D+00 -0.130407D+01  0.112316D+01
               261           262           263           264           265 
      1  -0.130407D+01 -0.101867D+01  0.145972D+01  0.511078D-01  0.157446D+01
      2   0.112316D+01  0.145972D+01 -0.195088D+01  0.600383D-01 -0.253296D+01
      3   0.393860D+01  0.511078D-01  0.600383D-01 -0.288544D+00  0.165599D+00
               266           267           268           269           270 
      1  -0.253296D+01  0.165599D+00 -0.691279D+00  0.119684D+01 -0.417930D+00
      2   0.835643D+01 -0.345280D+00  0.119684D+01 -0.339256D+01  0.105453D+01
      3  -0.345280D+00  0.116459D+01 -0.417930D+00  0.105453D+01 -0.336385D+00
               271           272           273           274           275 
      1  -0.386423D+00  0.793354D-01 -0.706063D+00  0.579362D+00  0.342681D+00
      2   0.793354D-01  0.675590D+00  0.156252D+00  0.342681D+00 -0.443375D+00
      3  -0.706063D+00  0.156252D+00  0.330126D+00 -0.578441D-01 -0.733023D+00
               276           277           278           279           280 
      1  -0.578441D-01 -0.200358D+01 -0.524232D+00 -0.525903D+00 -0.150449D+02
      2  -0.733023D+00 -0.524232D+00 -0.172045D+01 -0.142243D+01 -0.193352D+01
      3  -0.750446D+00 -0.525903D+00 -0.142243D+01 -0.582136D+01  0.475599D+00
               281           282           283           284           285 
      1  -0.193352D+01  0.475599D+00  0.750786D+00 -0.108826D+01  0.704913D-01
      2  -0.146526D+01 -0.589552D-01 -0.108826D+01 -0.185135D+00  0.327691D+00
      3  -0.589552D-01 -0.960723D+00  0.704913D-01  0.327691D+00  0.787900D-01
               286           287           288           289           290 
      1   0.158658D+01  0.350160D+00 -0.134765D+01 -0.511876D-01 -0.839470D+00
      2   0.350160D+00  0.621789D+00 -0.276466D+00 -0.839470D+00  0.204260D+01
      3  -0.134765D+01 -0.276466D+00 -0.258760D-01  0.561396D+00 -0.261850D+00
               291           292           293           294           295 
      1   0.561396D+00 -0.106029D+01 -0.311797D-02  0.224979D-01  0.132866D+01
      2  -0.261850D+00 -0.311797D-02 -0.739300D+01  0.172011D+01  0.358410D+00
      3   0.465573D+00  0.224979D-01  0.172011D+01 -0.130747D+01  0.713225D-01
               296           297 
      1   0.358410D+00  0.713225D-01
      2   0.284769D+01 -0.161541D+01
      3  -0.161541D+01  0.892908D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.241600D+01  0.216273D+01  0.182567D+01  0.883929D+01  0.131684D+01
      2   0.589319D+01 -0.160540D+01  0.380773D+01 -0.195259D+01 -0.880602D+00
      3   0.126246D+02 -0.178548D+01 -0.347934D+00  0.101323D+02 -0.446254D+00
                 6             7             8             9            10 
      1  -0.229546D+01 -0.774884D+00  0.249838D+01  0.221180D+00 -0.385116D+01
      2  -0.152495D+00 -0.862323D+01  0.379563D+00  0.177184D-01 -0.144120D+02
      3  -0.489974D+01 -0.120622D+02 -0.198727D+01  0.670329D+00 -0.274227D+02
                11            12            13            14            15 
      1  -0.564928D+00  0.157342D+01  0.170558D+01  0.673213D+00 -0.943664D+01
      2  -0.129899D+00 -0.279976D+01  0.189217D+01 -0.210954D+01 -0.160856D+00
      3  -0.605228D+00  0.794481D+00  0.104426D+02 -0.159467D+01  0.298249D+00
                16            17            18            19            20 
      1  -0.329891D+01 -0.284391D+01 -0.659270D+00 -0.256991D+01 -0.105036D+01
      2  -0.229909D+02 -0.275022D+01 -0.329737D+01 -0.760859D+01  0.158460D+00
      3   0.239993D+01  0.665624D+00  0.300369D+00 -0.108452D+02  0.141029D+00
                21            22            23            24            25 
      1  -0.118962D+01 -0.541756D+01  0.277363D+01 -0.118396D+00 -0.263234D+00
      2   0.835607D+01 -0.167504D+01  0.459981D+00 -0.137603D+01 -0.107633D+02
      3  -0.118006D+00  0.119127D+02  0.929845D+00  0.339849D+01 -0.103225D+02
                26            27            28            29            30 
      1   0.352818D+01  0.768208D+00  0.143209D+01 -0.582475D-01 -0.241950D+01
      2   0.680514D+00  0.163003D+01  0.101673D+02  0.124424D+01 -0.361580D+01
      3   0.349766D+01 -0.131703D+01  0.220312D+02  0.128752D+00 -0.112656D+01
                31            32            33            34            35 
      1  -0.301907D+01  0.106579D+01 -0.959557D+01 -0.416842D+01 -0.245843D+01
      2  -0.400387D+00  0.313985D+01  0.147814D+01 -0.246046D+02  0.806299D+00
      3   0.599284D+01  0.379153D+01 -0.942889D+00 -0.268883D+00 -0.383592D+01
                36            37            38            39            40 
      1  -0.103042D+00 -0.104619D+01  0.984430D+00 -0.105666D+01  0.668293D+01
      2  -0.713670D+00 -0.881422D+01 -0.145673D+01  0.566938D+01 -0.875514D+00
      3   0.330513D+01 -0.831786D+01 -0.650261D+00  0.169725D+01  0.135460D+02
                41            42            43            44            45 
      1  -0.224964D+01 -0.329111D+01  0.273804D+01  0.170777D+01 -0.102586D+01
      2  -0.164543D+01 -0.225785D+00  0.370768D+01  0.528903D+00 -0.276834D+01
      3   0.499063D+00 -0.316894D+01  0.119208D+02 -0.171643D+01 -0.176209D+01
                46            47            48            49            50 
      1   0.279411D+01 -0.137796D+01  0.135960D+01 -0.630364D+01 -0.170237D+01
      2   0.990892D+01  0.258188D+00  0.107906D+02 -0.110777D+01  0.779164D+00
      3   0.133670D+02 -0.720654D+00  0.401013D+00  0.118515D+02 -0.918957D+00
                51            52            53            54            55 
      1  -0.274004D+01  0.129554D+01  0.239289D+01 -0.215807D+00  0.308607D+01
      2  -0.156165D+01  0.215379D+01 -0.106525D+00  0.496802D+01  0.261866D+01
      3   0.311376D+01  0.109595D+02  0.109433D+01  0.770717D+00  0.152069D+02
                56            57            58            59            60 
      1   0.175091D+01 -0.136006D+01  0.502842D+01  0.400052D+01  0.144594D+01
      2   0.453945D+00 -0.363828D+01  0.140122D+01  0.589939D+01  0.133247D+02
      3   0.693219D+01 -0.110653D+01  0.364765D+02  0.805470D+01 -0.538093D+01
                61            62            63            64            65 
      1  -0.195488D+01  0.679831D+01 -0.170118D+01 -0.424629D+01 -0.996703D+00
      2  -0.224420D+02  0.138717D+02 -0.544069D+01  0.774936D+01 -0.311769D+01
      3  -0.682823D+01 -0.631534D+01 -0.894554D+01 -0.168213D+02 -0.181801D+02
                66            67            68            69            70 
      1  -0.157816D+01 -0.222531D+01 -0.713600D+00 -0.430605D-01  0.179313D+01
      2   0.145528D+02 -0.773470D+01 -0.606257D+01 -0.166590D+02  0.105982D+02
      3   0.514657D+01 -0.267927D+02 -0.606501D+01  0.552940D+01  0.935004D+01
                71            72            73            74            75 
      1   0.721479D+01 -0.772493D+00  0.186278D+01  0.214964D+01 -0.391801D+00
      2  -0.161164D+02  0.158045D+02 -0.844625D+01  0.509178D+01 -0.135970D+02
      3   0.807137D+01  0.156938D+02  0.925200D+01  0.166570D+02 -0.671527D+01
                76            77            78            79            80 
      1   0.398135D+01  0.853810D+00 -0.526438D+01 -0.131874D+00 -0.142332D+01
      2   0.655777D+01  0.132340D+02  0.218017D+02 -0.276729D+02  0.215136D+02
      3   0.349957D+02  0.106582D+02 -0.172677D+02 -0.709907D+01 -0.151737D+02
                81            82            83            84            85 
      1  -0.237140D+01  0.284543D+01 -0.447017D+01  0.463820D+01 -0.612158D+01
      2  -0.157715D+01 -0.138313D+02  0.636963D+01 -0.225637D+01  0.826502D+01
      3  -0.207688D+02  0.214765D+02  0.429003D+01 -0.741086D+01  0.125406D+02
                86            87            88            89            90 
      1  -0.968654D+01 -0.687902D+01  0.607652D+01 -0.383319D+00  0.885978D+01
      2   0.991865D+01  0.901593D+01 -0.854756D+01  0.830625D+01 -0.973757D+01
      3   0.804275D+01 -0.527269D+01 -0.866503D+01 -0.907071D+01 -0.127292D+02
                91            92            93            94            95 
      1   0.792504D+00  0.641473D+00  0.179205D+01  0.201254D+01 -0.592218D+00
      2  -0.371682D+01 -0.314655D+01  0.639822D+00  0.553419D+00 -0.901802D+01
      3   0.627818D+00  0.138839D+01  0.244537D+01  0.323171D+02 -0.981037D+01
                96            97            98            99           100 
      1  -0.348528D+01  0.252372D+01  0.458179D+01 -0.195565D+01 -0.119823D+01
      2   0.666623D+00 -0.165696D+02  0.165217D+01  0.170466D+02  0.448911D+01
      3   0.535760D+01 -0.261213D+01  0.970591D+01 -0.266667D+01  0.111215D+02
               101           102           103           104           105 
      1  -0.590412D+01 -0.309850D+01 -0.192219D+01 -0.125321D+00  0.609392D+00
      2   0.669264D-01  0.360909D+01 -0.175840D+01  0.647829D+01  0.520026D+01
      3  -0.148242D+02 -0.114872D+01 -0.922893D+01  0.341016D+01 -0.203436D+01
               106           107           108           109           110 
      1  -0.573031D+01 -0.989169D+00 -0.436016D+01  0.431188D+01  0.359554D+01
      2  -0.460935D+01  0.432571D+01 -0.231011D+02  0.894739D+01 -0.115629D+01
      3  -0.478822D+01  0.711476D+01 -0.225318D+01 -0.343579D+01 -0.358692D+01
               111           112           113           114           115 
      1   0.273794D+01  0.742673D+00  0.112065D+01 -0.330589D+01  0.336653D+01
      2   0.898029D+01  0.362106D+00  0.609656D+01 -0.511233D+01  0.635884D+01
      3  -0.113869D+01 -0.467092D+00  0.258090D+01 -0.645806D+01  0.908250D+01
               116           117           118           119           120 
      1   0.835713D+01  0.109726D+02 -0.332616D+01  0.239319D+01 -0.549901D+00
      2  -0.369494D+01  0.356086D+02 -0.546839D+01  0.160927D+01  0.106689D+01
      3  -0.167904D+02  0.344789D+01  0.599977D+00  0.670307D+01  0.161788D+01
               121           122           123           124           125 
      1   0.161717D+00 -0.423103D+01 -0.378984D+01 -0.254885D+01  0.649008D+01
      2  -0.709789D+00 -0.952471D+01 -0.152971D+01 -0.258010D+01 -0.453977D+01
      3   0.650997D+01 -0.462803D+01  0.850181D+01 -0.380889D+01  0.153515D+02
               126           127           128           129           130 
      1  -0.787686D+01  0.209253D+01  0.203112D+01  0.208125D+01 -0.886643D+00
      2  -0.103584D+02 -0.621144D+01 -0.677963D-01 -0.114018D+01  0.143359D+01
      3   0.567585D+01 -0.331199D+01 -0.127197D+01 -0.191018D+01  0.254826D+01
               131           132           133           134           135 
      1  -0.960216D-01 -0.199804D+01  0.283818D+01  0.303542D+01  0.473994D+01
      2  -0.359771D-03 -0.179177D+00 -0.414491D+01 -0.251340D+00  0.120073D+01
      3   0.318162D+00  0.441468D+00 -0.268230D+01 -0.201149D+01 -0.199622D+01
               136           137           138           139           140 
      1   0.173834D+01 -0.169035D+01 -0.187720D+01  0.331891D+00  0.183504D+00
      2   0.506599D+01  0.299292D-01 -0.184352D+01 -0.494193D+00 -0.788408D-01
      3   0.164329D+01 -0.666464D+00 -0.161653D+01  0.111309D+01 -0.270473D-01
               141           142           143           144           145 
      1  -0.156965D+01 -0.188148D+01  0.386087D+01  0.531181D+01 -0.238648D+01
      2   0.317515D+00 -0.471600D+01 -0.177106D+00 -0.933695D+00 -0.730928D+01
      3  -0.241743D-01 -0.140210D+01  0.160491D+01  0.187358D+01  0.257259D+01
               146           147           148           149           150 
      1   0.257549D+01 -0.142135D+01  0.355569D+00 -0.455454D+00 -0.981955D+00
      2   0.114229D+01 -0.151296D+01  0.106510D+01 -0.965345D-01  0.341066D+00
      3  -0.151613D+01  0.140902D+01  0.515561D+00  0.400628D+00 -0.209221D+00
               151           152           153           154           155 
      1  -0.190988D+01  0.345366D+01 -0.353519D+01 -0.195786D+01 -0.155663D+01
      2  -0.432670D+01  0.690891D-01  0.100870D+01  0.451715D+01  0.400160D+00
      3   0.157352D+01 -0.215981D+01  0.204311D+01 -0.140070D+01 -0.711109D+00
               156           157           158           159           160 
      1   0.127756D+01  0.182235D+00 -0.215825D+00 -0.149905D+01  0.257800D+01
      2  -0.147419D+01 -0.149787D+00 -0.331761D+00 -0.390042D-01 -0.450139D+01
      3   0.124018D+01  0.151590D+01  0.213882D+00 -0.330288D-01  0.193929D+01
               161           162           163           164           165 
      1   0.378698D+01 -0.530524D+01 -0.117969D+01 -0.910609D-01  0.142894D+01
      2  -0.360563D+00 -0.226626D+01 -0.496278D+01  0.138644D+01  0.413819D+01
      3   0.181041D+01 -0.171865D+01 -0.311654D+00 -0.409952D+01  0.111875D+00
               166           167           168           169           170 
      1   0.416450D+00 -0.131597D+01 -0.347478D+01  0.270116D+01 -0.108433D+01
      2   0.221373D+01 -0.835711D+01 -0.717470D+01  0.568258D+01 -0.955889D+01
      3  -0.365109D+01  0.107048D+02  0.577058D+01  0.381071D+01  0.913598D+01
               171           172           173           174           175 
      1  -0.385908D+01  0.198040D+01 -0.310318D+00  0.187632D+01 -0.141337D+01
      2  -0.976465D+01  0.657149D+01 -0.236228D+01  0.570826D+01 -0.174814D+01
      3   0.531314D+01 -0.139166D+00 -0.472480D+01  0.341876D+00 -0.257605D+01
               176           177           178           179           180 
      1   0.819264D+00 -0.302844D+01  0.199916D+01 -0.614863D+00  0.515692D+01
      2   0.358937D+01 -0.483469D+01  0.270086D+01 -0.744536D+01  0.131628D+02
      3   0.445856D+01 -0.247277D+01 -0.274494D+01 -0.585405D+01  0.415831D+01
               181           182           183           184           185 
      1   0.223864D+01  0.124476D+01  0.143503D+01  0.378844D+00 -0.640611D+00
      2  -0.101905D+02  0.180958D+01 -0.639166D+01  0.178536D+01 -0.524665D+01
      3  -0.258288D+01  0.343810D+01 -0.280827D+01  0.599895D+01 -0.572405D+01
               186           187           188           189           190 
      1  -0.192185D+01  0.155582D+01  0.162096D+01  0.315220D+01  0.132376D+01
      2   0.748102D+01 -0.102000D+02  0.703837D+01 -0.217384D+02 -0.580153D+01
      3   0.479799D+01 -0.313402D+01  0.471230D+01 -0.853589D+01  0.562563D+01
               191           192           193           194           195 
      1  -0.954188D+00 -0.303361D+00 -0.153190D+01  0.400109D+01  0.116279D+01
      2   0.165763D+01  0.598050D+01  0.361388D+01 -0.124056D+02 -0.154428D+02
      3  -0.515963D+01 -0.278370D+01 -0.791068D+01  0.166970D+02  0.135653D+02
               196           197           198           199           200 
      1  -0.112465D+01  0.461554D+01  0.231931D+01  0.132903D+00 -0.221131D-01
      2   0.962545D+01 -0.140691D+02 -0.242052D+02  0.128892D+02 -0.394645D+01
      3  -0.431286D+01  0.142635D+02  0.144369D+02  0.494457D+01 -0.736272D+01
               201           202           203           204           205 
      1   0.525700D+00 -0.792595D+00 -0.580704D-01 -0.120529D+01 -0.250646D-01
      2   0.120029D+02 -0.503739D+01  0.504294D+01 -0.928965D+01  0.148855D+02
      3   0.354223D+01 -0.809303D+01  0.683208D+01 -0.389702D+01  0.544847D+01
               206           207           208           209           210 
      1   0.148103D+01  0.685575D+00 -0.199190D+01 -0.196282D+01 -0.545519D+00
      2  -0.854828D+01  0.233084D+02 -0.200308D+01 -0.211355D+01  0.626444D+01
      3  -0.779153D+01  0.801775D+01 -0.134191D+02 -0.139258D+02  0.409415D+01
               211           212           213           214           215 
      1  -0.243205D+01 -0.442645D+01 -0.124079D+01 -0.473400D-02  0.181076D+01
      2  -0.418994D+01 -0.581699D+01  0.640138D+01  0.759774D+01  0.353263D+01
      3  -0.191501D+02 -0.302522D+02  0.827043D+01  0.489247D+01  0.781100D+01
               216           217           218           219           220 
      1   0.269902D+00 -0.369385D+01  0.173738D+01 -0.412374D+01  0.144124D+01
      2  -0.527358D+01  0.533382D+01  0.246658D+00  0.727316D+01 -0.364600D+00
      3  -0.388209D+01  0.664921D+00 -0.450202D+01  0.244010D+01 -0.202700D+01
               221           222           223           224           225 
      1  -0.226131D+01  0.285731D+01 -0.411076D+01  0.451186D+01 -0.120767D+02
      2   0.188929D+01 -0.616782D+01  0.257454D+01 -0.766349D+00  0.209811D+02
      3   0.266013D+01 -0.289235D+01  0.305011D+01 -0.484170D+01  0.343106D+01
               226           227           228           229           230 
      1  -0.345394D+01 -0.901538D+00  0.222546D+01 -0.666500D+00  0.295582D+00
      2   0.146594D+02 -0.271111D+01 -0.323972D+01 -0.158333D+01  0.191597D+01
      3  -0.220008D+02  0.542618D+01  0.483634D+01  0.668009D+01 -0.551296D+01
               231           232           233           234           235 
      1  -0.450000D+00  0.253552D+01  0.132652D+01 -0.164538D+01  0.191881D+01
      2  -0.122462D-01 -0.629444D+01  0.519177D+00  0.333769D+01 -0.123780D+01
      3  -0.137368D+01  0.398245D+01 -0.133426D+00 -0.205772D+01 -0.614420D+01
               236           237           238           239           240 
      1   0.284519D+01 -0.271564D+01  0.434005D+01  0.766404D+01 -0.426823D+01
      2  -0.182131D+01  0.380296D+01 -0.314970D+01 -0.369556D+01  0.387707D+01
      3  -0.839934D+01 -0.149010D+00 -0.585921D+01 -0.266849D+02  0.535246D-01
               241           242           243           244           245 
      1  -0.218396D+01 -0.162849D+01  0.140937D+01  0.462240D+00 -0.651545D+00
      2   0.270576D+01  0.309405D+01 -0.129440D+01 -0.672013D+01  0.586450D+00
      3   0.146078D+01  0.538233D+01 -0.151272D+01 -0.883881D+00 -0.228031D+01
               246           247           248           249           250 
      1  -0.749840D+00 -0.482643D+00  0.829496D+00 -0.237665D+00 -0.123050D+01
      2   0.384510D+01  0.375440D+00 -0.182349D+01 -0.357769D-01  0.156120D+01
      3  -0.118910D+01 -0.161379D+01  0.111660D+01  0.240351D+01 -0.115324D+01
               251           252           253           254           255 
      1   0.322461D+01  0.259192D+01 -0.172451D+01  0.632363D+00 -0.281638D+01
      2  -0.486375D+00 -0.202873D+02  0.927932D+01  0.124363D+01  0.693946D+01
      3   0.332409D+01  0.190084D+01 -0.193064D+02 -0.156508D+02  0.197986D+01
               256           257           258           259           260 
      1  -0.139846D+01 -0.624649D+01  0.462276D+00 -0.660718D+00  0.594106D+01
      2   0.411901D+01  0.107301D+02 -0.354581D+01  0.426732D+01 -0.507897D+01
      3  -0.802622D+01  0.134498D+02 -0.951163D+01  0.108165D+01 -0.119882D+02
               261           262           263           264           265 
      1   0.840452D+01  0.714415D+00 -0.123108D+01  0.872265D+00 -0.213775D+01
      2  -0.186581D+02  0.141458D+00 -0.847816D+00  0.797975D+00 -0.950805D+00
      3   0.592714D+01  0.301581D+01 -0.457925D+01 -0.586337D+00 -0.370268D+01
               266           267           268           269           270 
      1   0.672077D+01 -0.353000D+01  0.119129D+01 -0.313041D+01  0.219604D+01
      2   0.250884D+01 -0.405811D+01  0.101350D+01 -0.384472D+01  0.160551D+01
      3   0.249197D+02 -0.906546D+00  0.228883D+01 -0.105455D+02  0.320791D+01
               271           272           273           274           275 
      1  -0.185157D+01 -0.479455D+00  0.852490D+00 -0.308683D+00 -0.208957D+01
      2   0.484909D+01 -0.449905D+00 -0.194676D+01  0.912381D+00  0.313481D+01
      3   0.110972D+00  0.167723D+01  0.155250D+01  0.132998D+01 -0.187333D+01
               276           277           278           279           280 
      1  -0.162265D+01  0.214990D-01  0.704714D+00 -0.118342D+02  0.827194D+00
      2   0.283666D+01 -0.219390D+01  0.518356D+01  0.239950D+02 -0.356579D+01
      3  -0.256950D+01  0.177656D+01 -0.541502D+01 -0.470610D+01  0.166071D+02
               281           282           283           284           285 
      1   0.530401D-01 -0.216121D+01  0.362880D+00  0.750281D+00 -0.435723D+00
      2   0.239699D+00  0.704808D+01 -0.684375D+00 -0.143695D+01  0.116030D+00
      3  -0.601588D+01 -0.124131D+01 -0.400835D+01  0.106161D+01  0.125842D+01
               286           287           288           289           290 
      1  -0.233618D+01  0.337172D+00 -0.373195D+00  0.150763D+01 -0.523669D+00
      2   0.440712D+01  0.812321D+00  0.498664D+00 -0.248748D+01  0.848185D+00
      3  -0.113263D+01  0.204599D+01  0.959049D+00 -0.495380D+01  0.810012D+01
               291           292           293           294           295 
      1   0.185656D+01 -0.197214D+00  0.412766D+01 -0.495773D+01  0.930044D+00
      2  -0.168874D+01  0.162382D-01 -0.628651D+01  0.469962D+01 -0.215481D+01
      3  -0.215957D+01  0.478314D+01 -0.274572D+02  0.685852D+01 -0.200021D+01
               296           297 
      1  -0.238782D+01  0.251728D+01
      2   0.567593D+01 -0.306191D+01
      3   0.100387D+02 -0.628105D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.790473D+01  0.276689D+01 -0.265373D+02  0.718465D+01 -0.121030D+02
      2   0.470040D+01 -0.258764D+01  0.782836D+01 -0.708979D+01  0.129419D+02
      3   0.320433D+01 -0.179244D+00  0.187089D+02 -0.948656D-01 -0.838931D+00
      4   0.597980D+01  0.302309D+01  0.295752D+01  0.100885D+02 -0.277443D+01
      5  -0.144326D+02  0.300150D+01 -0.583546D+01  0.411787D+01  0.631377D+01
      6   0.307137D+01  0.375705D+01 -0.271751D+01  0.475513D+01 -0.887486D+01
                 6             7             8             9            10 
      1   0.928764D+01  0.343369D+02  0.247424D+01  0.100886D+02  0.449296D+02
      2  -0.107837D+02 -0.218928D+01 -0.549561D+01  0.242857D+01 -0.181543D+02
      3   0.149603D+01 -0.321476D+02  0.302137D+01 -0.125172D+02 -0.267752D+02
      4   0.599304D+01 -0.341479D+01  0.451146D+01  0.310022D+01 -0.108039D+02
      5   0.256719D+01  0.302254D+01  0.197523D+01 -0.102744D+02 -0.986471D+01
      6   0.128304D+02  0.446145D+01  0.380151D+01  0.319172D+01  0.613017D+01
                11            12            13            14            15 
      1   0.701502D+01 -0.508870D+01  0.745780D+01  0.115135D+01  0.125134D+01
      2  -0.574745D+01  0.107641D+01 -0.113986D+02  0.927431D+01  0.118222D+01
      3  -0.126757D+01  0.401228D+01  0.394084D+01 -0.104257D+02 -0.243356D+01
      4   0.111129D+01  0.206826D+00  0.214651D+02 -0.421886D+01 -0.123350D+01
      5  -0.503208D+00  0.915362D+01  0.479413D+01 -0.416977D+00 -0.239838D+01
      6   0.151267D+01 -0.694569D+01  0.823877D+00  0.196622D+01  0.505221D+01
                16            17            18            19            20 
      1  -0.988870D+01 -0.303322D+00 -0.233524D+02  0.786118D+01 -0.609364D+01
      2  -0.897667D+00  0.274161D+01  0.554287D+00 -0.199562D+00  0.460854D+01
      3   0.107864D+02 -0.243829D+01  0.227982D+02 -0.766162D+01  0.148510D+01
      4   0.193174D+01 -0.168725D+01 -0.374466D+01 -0.489154D+01 -0.539540D+00
      5  -0.188610D+02 -0.312120D+01  0.115198D+01  0.138807D+02 -0.460878D+00
      6  -0.378765D+00 -0.243827D+01 -0.211392D+01 -0.200221D+01 -0.481348D+01
                21            22            23            24            25 
      1   0.272753D+02 -0.703929D+00 -0.112463D+02 -0.193499D+01 -0.188855D+02
      2  -0.107307D+02  0.244705D+01  0.841294D+01 -0.556373D+01 -0.301812D+01
      3  -0.165446D+02 -0.174312D+01  0.283340D+01  0.749872D+01  0.219036D+02
      4   0.877138D+00  0.116668D+02  0.339948D+01 -0.540566D+01 -0.467215D+01
      5  -0.110559D+02 -0.417931D+01 -0.459044D+01  0.186381D+01  0.711935D+01
      6   0.704295D+01 -0.450744D+01 -0.514321D+01  0.142638D+02 -0.250561D+01
                26            27            28            29            30 
      1   0.883671D+00  0.121053D+02  0.130992D+02  0.170442D+00  0.184181D+01
      2  -0.328205D+01  0.517239D+01 -0.632911D+00  0.356931D+01  0.161571D+01
      3   0.239837D+01 -0.172777D+02 -0.124662D+02 -0.373975D+01 -0.345752D+01
      4  -0.581057D+01 -0.704717D+00  0.228363D+02  0.225232D+01  0.538586D+00
      5  -0.730034D+00  0.963266D+01  0.102421D+00  0.536238D+00  0.740523D+01
      6   0.610387D+01  0.865562D+00 -0.498973D+00 -0.239118D+01  0.346472D+01
                31            32            33            34            35 
      1  -0.324326D+01  0.179181D+01  0.173170D+01 -0.458763D+01  0.312318D+01
      2   0.503304D+01  0.675285D+01 -0.103738D+01 -0.992081D+00  0.806784D+00
      3  -0.178978D+01 -0.854466D+01 -0.694314D+00  0.557971D+01 -0.392997D+01
      4   0.195596D+02  0.182328D+01  0.203936D+01  0.245411D+00  0.525875D+01
      5   0.841205D+00  0.167154D+01 -0.485015D+00 -0.223571D+02 -0.266784D+00
      6  -0.320461D+01  0.987583D+00  0.296494D+01  0.164892D+01 -0.320853D+01
                36            37            38            39            40 
      1  -0.266753D+02  0.905391D+00 -0.961371D+00 -0.270403D+02 -0.225728D+01
      2   0.136845D+01 -0.581404D+00  0.232590D+01  0.991248D+01  0.132833D+01
      3   0.253068D+02 -0.323986D+00 -0.136453D+01  0.171278D+02  0.928944D+00
      4  -0.255705D+01 -0.131415D+01  0.121846D+01  0.245571D+00  0.561718D+01
      5  -0.458346D+00 -0.221358D+02  0.131558D+01 -0.136850D+01  0.282944D+01
      6  -0.346866D+01  0.468749D+01  0.457989D+01  0.367241D+01  0.657916D+01
                41            42            43            44            45 
      1  -0.835390D+01 -0.136361D+01  0.229307D+02 -0.401860D+01  0.133952D+02
      2   0.936162D+01  0.235191D+01  0.328440D+01  0.159921D+01  0.609303D+00
      3  -0.100773D+01 -0.988306D+00 -0.262150D+02  0.241939D+01 -0.140045D+02
      4   0.223033D+01  0.636800D+01  0.609828D+01  0.530086D+01  0.247470D+01
      5   0.369597D+01  0.248917D+01  0.132710D+02  0.980176D+00 -0.934438D+01
      6   0.270905D+01  0.892501D+01  0.357421D+00  0.386884D+01  0.502414D+01
                46            47            48            49            50 
      1  -0.161685D+01 -0.279335D+01  0.247168D+02  0.494755D+01 -0.108593D+02
      2   0.580604D+01  0.371787D+00 -0.841745D+01 -0.259258D+01  0.106297D+02
      3  -0.418919D+01  0.242156D+01 -0.162994D+02 -0.235498D+01  0.229612D+00
      4   0.273590D+01  0.773064D+00 -0.144815D+01  0.323483D+01 -0.188394D+00
      5   0.241182D+02 -0.139640D+01 -0.657370D+01 -0.579033D+01 -0.324257D+01
      6  -0.452892D+01 -0.259245D+01  0.513449D+00 -0.338368D+01  0.691915D+01
                51            52            53            54            55 
      1  -0.112090D+02 -0.252417D+02 -0.470515D+01  0.136231D+02 -0.321580D+02
      2   0.787686D+01  0.221162D+01  0.471040D+01  0.573860D+01  0.152380D+02
      3   0.333216D+01  0.230301D+02 -0.525446D-02 -0.193617D+02  0.169200D+02
      4  -0.476990D+01  0.408981D+01 -0.377577D+01 -0.238450D+00 -0.253879D+01
      5  -0.819570D-01  0.110996D+02 -0.227834D+00  0.894084D+01  0.243110D+01
      6   0.125250D+02 -0.227366D+01  0.499281D+01  0.225730D+01 -0.461198D+01
                56            57            58            59            60 
      1  -0.111244D+02 -0.159895D+01 -0.440311D+02 -0.276677D+02  0.888026D+01
      2   0.687530D+01  0.110716D+01  0.250337D+02  0.117123D+02 -0.609882D+01
      3   0.424908D+01  0.491792D+00  0.189974D+02  0.159554D+02 -0.278144D+01
      4  -0.197708D+02  0.223685D+01 -0.475382D+02  0.556550D+01  0.111147D+02
      5   0.309772D+01 -0.144391D+02  0.679121D+01  0.118938D+02  0.220917D+02
      6  -0.871653D+00  0.533844D+01  0.257771D+01 -0.674865D+01 -0.972070D+01
                61            62            63            64            65 
      1   0.745194D+01  0.813404D+01 -0.116755D+02 -0.392023D+02  0.111688D+02
      2  -0.880943D+00 -0.471037D+01  0.262711D+01  0.261473D+02 -0.521520D+01
      3  -0.657100D+01 -0.342367D+01  0.904837D+01  0.130550D+02 -0.595364D+01
      4   0.230897D+01  0.131247D+02  0.312620D+02  0.137913D+02  0.252386D+02
      5  -0.298550D+02  0.275930D+02 -0.821161D+01  0.251928D+02 -0.633136D+01
      6   0.127501D+02 -0.116101D+02 -0.736210D+00  0.558575D+01 -0.499476D+00
                66            67            68            69            70 
      1   0.282869D+02  0.492042D+02  0.420882D+02 -0.121936D+02  0.270124D+02
      2  -0.133869D+02 -0.209660D+02 -0.182689D+02  0.287353D+01 -0.130331D+02
      3  -0.149000D+02 -0.282382D+02 -0.238193D+02  0.932011D+01 -0.139793D+02
      4  -0.441148D+01  0.446494D+02  0.790466D+01 -0.138471D+02 -0.732495D+01
      5   0.152428D+02 -0.167776D+02 -0.161730D+02 -0.267256D+02  0.266982D+02
      6   0.598408D+01 -0.317981D+01 -0.149140D+01 -0.604677D+01  0.176423D+01
                71            72            73            74            75 
      1  -0.764990D+01  0.360373D+02  0.468421D+02 -0.129766D+02 -0.288423D+02
      2  -0.254274D+01 -0.174370D+02 -0.278080D+02  0.365845D+01  0.132872D+02
      3   0.101926D+02 -0.186003D+02 -0.190342D+02  0.931810D+01  0.155551D+02
      4  -0.156231D+02 -0.251023D+02 -0.181078D+02 -0.366794D+02  0.124271D+02
      5  -0.272881D+02  0.192109D+02 -0.255198D+02  0.138597D+02 -0.252663D+02
      6  -0.525445D+01  0.782159D+01  0.219106D+01  0.647160D+01 -0.104521D+01
                76            77            78            79            80 
      1  -0.254704D+02 -0.445676D+02  0.203146D+02 -0.314893D+02  0.173177D+02
      2   0.684151D+01  0.227155D+02 -0.218726D+01  0.137478D+02 -0.110151D+01
      3   0.186289D+02  0.218521D+02 -0.181274D+02  0.177415D+02 -0.162162D+02
      4  -0.578955D+02 -0.241375D+02  0.316668D+02  0.153522D+02  0.277501D+02
      5   0.202776D+02  0.346764D+02  0.374753D+02 -0.402553D+02  0.382178D+02
      6   0.107820D+02  0.455188D+01 -0.654948D+01  0.350081D+00 -0.568808D+01
                81            82            83            84            85 
      1  -0.372288D+02  0.497347D+02 -0.918829D+01 -0.125907D+02 -0.148636D+02
      2   0.229783D+02 -0.327786D+02 -0.754954D+01  0.149978D+02 -0.951098D+01
      3   0.142506D+02 -0.169561D+02  0.167378D+02 -0.240710D+01  0.243746D+02
      4   0.368941D+02 -0.483783D+01 -0.284046D+02  0.142645D+01 -0.356479D+02
      5  -0.732612D-02 -0.928116D+01  0.378263D+01 -0.168750D+02  0.821702D+01
      6  -0.603108D+01 -0.580543D+01 -0.221459D+00 -0.504560D+01  0.119211D+01
                86            87            88            89            90 
      1  -0.222116D+02 -0.599693D+00 -0.143291D+02 -0.172614D+01 -0.223070D+02
      2  -0.792472D+01 -0.735753D+00  0.175602D+02  0.489792D+01  0.267903D+02
      3   0.301363D+02  0.133545D+01 -0.323110D+01 -0.317178D+01 -0.448325D+01
      4  -0.371327D+02  0.148293D+02  0.395776D+01  0.239697D+02  0.140617D+02
      5   0.117823D+02  0.235503D+02 -0.231101D+02  0.209151D+02 -0.271856D+02
      6   0.570761D+01  0.955914D+01 -0.354720D+01  0.866062D+01 -0.290461D+01
                91            92            93            94            95 
      1   0.152810D+02 -0.568111D+01  0.284992D+00 -0.135517D+02 -0.197568D+02
      2  -0.112852D+02 -0.244155D+01 -0.265410D+01  0.171886D+01  0.495371D+01
      3  -0.399584D+01  0.812267D+01  0.236911D+01  0.118329D+02  0.148031D+02
      4  -0.208117D+02 -0.173822D+02 -0.503588D+01 -0.452568D+02  0.409140D+01
      5  -0.806167D+00 -0.417880D+01 -0.667412D+01 -0.433440D+01 -0.107278D+02
      6  -0.208395D+01 -0.610944D+00 -0.263137D+01 -0.310823D+01 -0.290215D+01
                96            97            98            99           100 
      1  -0.162270D+01 -0.110398D+02 -0.286440D+01 -0.205250D+01 -0.388935D+01
      2   0.101176D+01 -0.422371D+01 -0.595124D+00  0.113431D+02  0.353632D+01
      3   0.610935D+00  0.152635D+02  0.345952D+01 -0.929060D+01  0.353027D+00
      4  -0.109544D+02 -0.945610D+01 -0.215520D+02  0.276338D+00  0.614300D+01
      5   0.711211D+00 -0.116283D+02  0.182657D+01  0.364031D+02 -0.177014D+02
      6   0.103004D+01 -0.226381D+01  0.160744D+01  0.342272D+01  0.499250D+01
               101           102           103           104           105 
      1   0.195640D+01 -0.849808D+01  0.107224D+02  0.791639D+01  0.464977D+01
      2  -0.432674D+00  0.885285D+01 -0.761431D+01 -0.564112D+01 -0.727015D+01
      3  -0.152373D+01 -0.354771D+00 -0.310810D+01 -0.227527D+01  0.262038D+01
      4   0.166038D+01  0.460563D+01  0.291265D+01 -0.127417D+02  0.108473D+02
      5   0.392478D+01 -0.640615D+01  0.146266D+01  0.102519D+02  0.111922D+02
      6  -0.391838D+01  0.578765D+01  0.359581D+01 -0.972955D+01 -0.837267D+01
               106           107           108           109           110 
      1  -0.250900D+02  0.472948D+01 -0.813068D+01  0.390883D+02 -0.512517D+01
      2   0.173569D+02 -0.454003D+01  0.117746D+02 -0.252859D+02  0.126053D+01
      3   0.773313D+01 -0.189448D+00 -0.364396D+01 -0.138024D+02  0.386465D+01
      4   0.112884D+02 -0.329065D+01  0.110212D+02 -0.131662D+02  0.151287D+02
      5  -0.242625D+02  0.885915D+01 -0.393006D+02  0.356017D+02 -0.386174D+01
      6   0.947122D+01 -0.130628D+02  0.138058D+02 -0.953008D+01  0.282506D+01
               111           112           113           114           115 
      1   0.259841D+02 -0.346378D+01  0.184676D+01  0.124486D+01  0.395496D+02
      2  -0.188724D+02 -0.963839D+00  0.232023D+01 -0.519094D+00 -0.254213D+02
      3  -0.711170D+01  0.442761D+01 -0.416699D+01 -0.725768D+00 -0.141283D+02
      4  -0.772387D+01  0.161919D+02 -0.601807D+01  0.134438D+02 -0.176969D+02
      5   0.267191D+02 -0.656172D+01  0.133394D+02 -0.986209D+01  0.441581D+02
      6  -0.618909D+01  0.500112D+01 -0.688473D+01  0.134475D+02 -0.110123D+02
               116           117           118           119           120 
      1  -0.420097D+00  0.945509D+01  0.152194D+01 -0.118741D+02 -0.949771D+01
      2  -0.328112D+01 -0.306262D+02 -0.122255D+01  0.141909D+02  0.409205D+01
      3   0.370122D+01  0.211711D+02 -0.299395D+00 -0.231686D+01  0.540566D+01
      4   0.266972D+02 -0.117490D+02 -0.179852D+01 -0.369292D+01  0.696930D+01
      5  -0.102781D+02  0.729702D+02 -0.863796D+01  0.245349D+01  0.441170D+01
      6   0.135542D+02 -0.276675D+02  0.482233D+01 -0.976910D-01 -0.185756D+00
               121           122           123           124           125 
      1  -0.627366D+01 -0.959117D+01 -0.511031D+01 -0.110873D+02 -0.700800D+01
      2   0.111697D+02 -0.400901D+00  0.104658D+02  0.500178D-01  0.202000D+02
      3  -0.489603D+01  0.999207D+01 -0.535549D+01  0.110372D+02 -0.131920D+02
      4  -0.202261D+01  0.216938D+02 -0.185121D+02  0.182562D+02 -0.353066D+02
      5   0.712831D+01 -0.184579D+02 -0.556481D+01  0.101109D+02 -0.127663D+02
      6  -0.449535D+01  0.180744D+02  0.103247D+02 -0.385513D+01  0.154444D+02
               126           127           128           129           130 
      1  -0.509584D+01  0.879969D+00  0.161565D+01 -0.363624D+01 -0.843270D+00
      2  -0.125999D+01 -0.658097D+01 -0.897064D+00 -0.592740D+01  0.126948D+01
      3   0.635583D+01  0.570101D+01 -0.718583D+00  0.956364D+01 -0.426215D+00
      4  -0.109230D+02 -0.579150D+01  0.399884D+01 -0.513580D+01  0.155578D+01
      5  -0.221050D+02  0.168059D+02 -0.282339D+01  0.170103D+02 -0.285356D+01
      6   0.166072D+02 -0.622138D+01  0.393863D+01 -0.668734D+01  0.217773D+01
               131           132           133           134           135 
      1  -0.190635D+01  0.205533D+01 -0.526680D+01  0.461766D+01 -0.207915D+02
      2  -0.481943D+00  0.656888D+00 -0.722288D+01 -0.923149D+00 -0.118953D+02
      3   0.238829D+01 -0.271221D+01  0.124897D+02 -0.369451D+01  0.326868D+02
      4  -0.198037D+01  0.265431D+01 -0.434384D+01  0.429411D+01 -0.659573D+01
      5   0.281578D+01 -0.378343D+01  0.177097D+02 -0.350218D+01  0.258922D+02
      6  -0.181494D+01  0.424619D+01 -0.696512D+01  0.780030D+01 -0.145142D+02
               136           137           138           139           140 
      1  -0.262910D+01 -0.291977D+00  0.545799D+01 -0.573261D+00 -0.203685D+01
      2  -0.549346D+01  0.207365D+00  0.566390D+01  0.110756D+00 -0.732018D+00
      3   0.812256D+01  0.846123D-01 -0.111219D+02  0.462505D+00  0.276887D+01
      4   0.279085D+01  0.206170D+01 -0.261420D+01  0.630213D+00  0.328550D-01
      5  -0.113665D+02 -0.701756D+00  0.142053D+02 -0.797547D-01 -0.182826D+01
      6  -0.290449D+01 -0.224832D+01  0.299256D+01 -0.876541D+00 -0.831703D+00
               141           142           143           144           145 
      1   0.933009D+00  0.798562D+01  0.278203D+01 -0.319515D+02  0.299570D+01
      2  -0.680272D-01  0.630206D+01 -0.897366D+00 -0.161941D+02 -0.511592D+01
      3  -0.864982D+00 -0.142877D+02 -0.188466D+01  0.481455D+02  0.212023D+01
      4  -0.125688D+01 -0.290873D+01 -0.280339D+01  0.399280D+01  0.409729D+00
      5  -0.728166D-01  0.136735D+02  0.144805D+01 -0.226704D+02  0.112712D+02
      6   0.354131D+01  0.435615D+01  0.723412D+01 -0.121123D+02  0.153477D+01
               146           147           148           149           150 
      1  -0.621538D+00 -0.149644D+01 -0.858444D+00 -0.612384D+00  0.147240D+01
      2   0.675925D+00 -0.403638D+01  0.650491D+00 -0.921756D+00  0.656118D+00
      3  -0.543874D-01  0.553282D+01  0.207953D+00  0.153414D+01 -0.212852D+01
      4   0.295565D+01  0.728914D+00  0.157466D+01 -0.107951D+01  0.852891D+00
      5  -0.103389D+01  0.102957D+02 -0.132535D+01  0.232878D+01 -0.199443D+01
      6   0.167343D+01  0.159091D+01  0.308802D+00 -0.717848D+00  0.140967D+01
               151           152           153           154           155 
      1  -0.359795D+01  0.864957D+00 -0.151680D+02 -0.237553D+00  0.117120D+01
      2  -0.556498D+01  0.106975D+01 -0.908031D+01 -0.501700D+01 -0.973774D+00
      3   0.916293D+01 -0.193471D+01  0.242483D+02  0.525456D+01 -0.197424D+00
      4   0.154326D+01  0.266557D+01  0.109113D+01 -0.167822D+01  0.197869D+01
      5   0.129914D+02 -0.109589D+01  0.176071D+02 -0.975248D+01  0.405008D+00
      6   0.206900D+01  0.427435D+01  0.379478D+01  0.333082D+01 -0.188351D+01
               156           157           158           159           160 
      1   0.231425D+01 -0.965487D+00 -0.190930D+01  0.876060D+00  0.368791D+01
      2   0.483078D+01  0.370766D+00 -0.632030D+00  0.323264D+00  0.662052D+01
      3  -0.714503D+01  0.594721D+00  0.254133D+01 -0.119932D+01 -0.103084D+02
      4   0.218765D+01  0.120362D+01 -0.572493D+00 -0.134765D+01  0.160508D+01
      5   0.118462D+02  0.415165D+00 -0.214121D+01 -0.591634D+00  0.130735D+02
      6  -0.389296D+01 -0.129174D+01  0.250238D+00  0.274396D+01 -0.366858D+01
               161           162           163           164           165 
      1  -0.172040D+01 -0.243739D+02  0.118600D+02 -0.532849D+01 -0.691033D+01
      2   0.119020D+01 -0.129941D+02 -0.409607D+01  0.713349D+00  0.282204D+01
      3   0.530201D+00  0.373680D+02 -0.776391D+01  0.461514D+01  0.408829D+01
      4  -0.260394D+01 -0.274057D+01 -0.124781D+02  0.147348D+02  0.638204D+01
      5  -0.267349D+00 -0.207476D+02 -0.117096D+02  0.483986D+01  0.871845D+01
      6   0.591761D+01  0.104873D+02  0.540805D+01 -0.232067D+01 -0.281893D+01
               166           167           168           169           170 
      1  -0.292268D+01 -0.322188D+01 -0.375611D+01 -0.197094D+02 -0.598709D+01
      2  -0.292134D+01  0.126946D+02  0.593663D+01  0.867401D+01  0.658135D+01
      3   0.584402D+01 -0.947272D+01 -0.218052D+01  0.110354D+02 -0.594266D+00
      4   0.229876D+02 -0.317809D+02 -0.174306D+02  0.135770D+02 -0.227887D+02
      5   0.760404D+01 -0.159183D+02 -0.127652D+02  0.190937D+02 -0.174967D+02
      6  -0.572702D+01  0.126732D+02  0.103777D+02 -0.890735D+01  0.124171D+02
               171           172           173           174           175 
      1   0.620110D-01  0.162746D+02 -0.412043D+01  0.942974D+01  0.184273D-01
      2  -0.759611D+00 -0.808994D+01  0.275167D-01 -0.456864D+01 -0.246261D+01
      3   0.697600D+00 -0.818466D+01  0.409292D+01 -0.486110D+01  0.244418D+01
      4  -0.203455D+02 -0.118310D+02  0.138072D+02 -0.829805D+01  0.145028D+02
      5  -0.205209D+02  0.158271D+02 -0.646761D+01  0.126192D+02 -0.598417D+01
      6   0.122749D+02 -0.537615D+01  0.247887D+01 -0.345447D+01  0.388735D+01
               176           177           178           179           180 
      1   0.190477D+01  0.588759D+00  0.196355D+02  0.922464D+00  0.166113D+01
      2   0.326819D+01 -0.227291D+01 -0.985209D+01 -0.269437D+01 -0.319052D+01
      3  -0.517297D+01  0.168415D+01 -0.978337D+01  0.177191D+01  0.152939D+01
      4  -0.161119D+02  0.958886D+01 -0.127453D+02  0.157153D+02 -0.177908D+02
      5   0.907625D+01 -0.934406D+01  0.178268D+02 -0.155704D+02  0.270616D+02
      6  -0.582033D+01  0.755580D+01 -0.663232D+01  0.902477D+01 -0.105741D+02
               181           182           183           184           185 
      1  -0.111474D+02  0.397294D+01 -0.164319D+02  0.236568D+01 -0.158644D+02
      2   0.305555D+01 -0.212994D+01  0.582986D+01 -0.174890D+01  0.892825D+01
      3   0.809180D+01 -0.184300D+01  0.106021D+02 -0.616776D+00  0.693614D+01
      4  -0.144825D+01 -0.495669D+01  0.685303D+00 -0.339856D+01  0.774191D+01
      5  -0.900240D+01  0.117348D+01 -0.460538D+01  0.594573D+00 -0.600946D+01
      6  -0.492555D+01  0.191780D+01 -0.443164D+01  0.191742D+01 -0.622593D+01
               186           187           188           189           190 
      1   0.862614D+01 -0.249978D+02  0.797788D+01 -0.255041D+02  0.109018D+02
      2  -0.388038D+01  0.100105D+02 -0.175143D+01  0.402807D+00 -0.807366D+01
      3  -0.474575D+01  0.149872D+02 -0.622646D+01  0.251013D+02 -0.282810D+01
      4  -0.581212D+01 -0.331413D+00 -0.711738D+01  0.999766D+01 -0.114390D+02
      5   0.126777D+02 -0.229001D+01  0.116208D+02 -0.328680D+02 -0.148626D+02
      6   0.986915D+01 -0.298134D+01  0.796050D+01 -0.140530D+02  0.293565D+01
               191           192           193           194           195 
      1  -0.114390D+02 -0.126496D+02 -0.226730D+02  0.125178D+02  0.606322D+01
      2   0.673004D+01  0.824973D+01  0.140827D+02 -0.778281D+01 -0.886042D+01
      3   0.470899D+01  0.439992D+01  0.859027D+01 -0.473502D+01  0.279720D+01
      4   0.109986D+02  0.616828D+01  0.225731D+02 -0.312003D+02 -0.266060D+02
      5   0.726469D+01  0.164317D+02  0.161071D+02 -0.275349D+02 -0.317150D+02
      6  -0.186071D+01 -0.135093D+01 -0.455237D+01  0.849767D+01  0.848980D+01
               196           197           198           199           200 
      1  -0.237808D+02  0.376182D+01  0.145497D+02  0.494267D+02 -0.115405D+02
      2   0.177203D+02 -0.750497D+01 -0.218627D+02 -0.242324D+02  0.564648D+01
      3   0.606053D+01  0.374315D+01  0.731297D+01 -0.251943D+02  0.589400D+01
      4   0.111444D+02 -0.264142D+02 -0.273384D+02 -0.105023D+02  0.140706D+02
      5   0.329080D+02 -0.286508D+02 -0.520521D+02  0.240706D+02 -0.736783D+01
      6  -0.276050D+01  0.827076D+01  0.788690D+01 -0.476846D+00 -0.578629D+00
               201           202           203           204           205 
      1   0.255768D+02 -0.205541D+02  0.178582D+02 -0.990347D+01  0.546093D+02
      2  -0.121384D+02  0.101075D+02 -0.743944D+01  0.346008D+01 -0.276560D+02
      3  -0.134384D+02  0.104466D+02 -0.104187D+02  0.644339D+01 -0.269532D+02
      4  -0.730424D+01  0.216326D+02 -0.131398D+02  0.828677D+01 -0.116697D+02
      5   0.212143D+02 -0.992630D+01  0.789732D+01 -0.164015D+02  0.325506D+02
      6   0.136094D+00 -0.238905D+00 -0.138899D+01  0.277657D+01 -0.872949D-01
               206           207           208           209           210 
      1  -0.119039D+02  0.284570D+02  0.500781D+02  0.299285D+02 -0.965437D+01
      2   0.478681D+01 -0.164948D+02 -0.219709D+02 -0.123832D+02  0.554298D+01
      3   0.711706D+01 -0.119622D+02 -0.281072D+02 -0.175454D+02  0.411139D+01
      4   0.141219D+02 -0.152285D+02  0.369577D+02  0.315463D+02 -0.100765D+02
      5  -0.156818D+02  0.425534D+02 -0.155935D+02 -0.114647D+02  0.140371D+02
      6   0.247222D+01  0.222712D+00 -0.648345D+01 -0.495902D+01  0.301446D+01
               211           212           213           214           215 
      1   0.551690D+02  0.312590D+02 -0.121671D+02 -0.105618D+02 -0.732465D+01
      2  -0.220744D+02 -0.563611D+01  0.590878D+01  0.694024D+01  0.342311D+01
      3  -0.330946D+02 -0.256229D+02  0.625831D+01  0.362156D+01  0.390154D+01
      4   0.528897D+02  0.633272D+02 -0.184899D+02 -0.124116D+02 -0.156255D+02
      5  -0.215707D+02 -0.196848D+02  0.151386D+02  0.225486D+02  0.103913D+02
      6  -0.951218D+01 -0.119883D+02  0.799024D+01  0.517183D+01  0.736023D+01
               216           217           218           219           220 
      1   0.138201D+02  0.115591D+02 -0.140994D+01  0.126733D+02 -0.668129D+01
      2  -0.837903D+01 -0.102804D+02  0.378259D+01 -0.129164D+02  0.691469D+01
      3  -0.544106D+01 -0.127869D+01 -0.237265D+01  0.243143D+00 -0.233405D+00
      4   0.990640D+01  0.322643D+01  0.866550D+01  0.335476D+01  0.574515D+01
      5  -0.143774D+02  0.195079D+02  0.840436D-01  0.231650D+02 -0.604828D+01
      6  -0.441615D+01  0.391578D+01  0.217070D+01  0.496448D+01  0.880045D+00
               221           222           223           224           225 
      1   0.399695D+01 -0.251220D+01  0.150520D+02 -0.199437D+01  0.358742D+01
      2  -0.309799D+01  0.675200D+01 -0.155634D+02  0.465507D+01 -0.243352D+02
      3  -0.898954D+00 -0.423980D+01  0.511346D+00 -0.266070D+01  0.207478D+02
      4  -0.128071D+01  0.466127D+01  0.448790D+01  0.750619D+01  0.202199D+01
      5   0.645408D+01 -0.141380D+02  0.243385D+02 -0.167334D+01  0.534991D+02
      6  -0.133860D+01  0.793219D+00  0.549408D+01  0.439311D+01  0.138607D+02
               226           227           228           229           230 
      1  -0.556994D+02  0.127602D+02  0.117506D+02  0.712728D+01 -0.119877D+02
      2   0.308216D+02 -0.114168D+02 -0.651147D+01 -0.611714D+01  0.111543D+02
      3   0.248778D+02 -0.134346D+01 -0.523917D+01 -0.101014D+01  0.833395D+00
      4  -0.154270D+02 -0.351446D+01 -0.119137D+01  0.227358D+00  0.302518D+01
      5  -0.152931D+01 -0.354028D+01 -0.315861D+01 -0.181226D+01 -0.721578D+00
      6   0.332185D+01 -0.491609D+01 -0.494257D+01 -0.383578D+01  0.186156D+01
               231           232           233           234           235 
      1  -0.433552D+01  0.958754D+01 -0.325538D+01 -0.721448D+01  0.130773D+02
      2   0.275653D+01 -0.505296D+01  0.125025D+01  0.107749D+01  0.313294D+01
      3   0.157899D+01 -0.453458D+01  0.200512D+01  0.613699D+01 -0.162103D+02
      4  -0.116063D+01  0.436019D+00 -0.276698D+01 -0.165761D+01  0.278102D+02
      5  -0.208782D+01  0.703278D+00 -0.593804D+00  0.468885D+01  0.204427D+01
      6   0.158697D+01 -0.397708D+01  0.262726D+01  0.311971D+01  0.171693D+01
               236           237           238           239           240 
      1   0.133092D+02 -0.694842D+00  0.127074D+02 -0.224797D+01 -0.116789D+01
      2   0.578552D+01 -0.123760D+01  0.942807D+01  0.391905D+02 -0.109020D+01
      3  -0.190947D+02  0.193244D+01 -0.221354D+02 -0.369426D+02  0.225809D+01
      4   0.328785D+02  0.781278D-01  0.385166D+02  0.710774D+02 -0.161781D+01
      5   0.240914D+01  0.744414D+01  0.154801D+01  0.158036D+01  0.650194D+01
      6   0.228511D+01  0.368253D+01  0.167330D+01  0.475954D+01  0.658209D+01
               241           242           243           244           245 
      1  -0.459762D+01 -0.228342D+00  0.323036D+01  0.177722D+01  0.110220D+01
      2  -0.125970D+01 -0.624952D+01  0.460895D+00 -0.601868D+01  0.157635D+00
      3   0.585732D+01  0.647786D+01 -0.369126D+01  0.424147D+01 -0.125984D+01
      4  -0.675615D+01 -0.130354D+02  0.780477D+01  0.231628D+01  0.512037D+01
      5   0.804354D+01  0.616647D+01 -0.132884D+01 -0.149112D+02  0.800406D+00
      6   0.417822D+01  0.656310D+01 -0.211430D+01 -0.120715D+01 -0.217633D+00
               246           247           248           249           250 
      1  -0.844813D+01  0.131374D+01  0.151508D+01  0.322623D+00 -0.100503D+02
      2   0.699444D+01  0.320191D+00 -0.183288D+01 -0.137856D+01  0.103846D+02
      3   0.145369D+01 -0.163393D+01  0.317799D+00  0.105594D+01 -0.334317D+00
      4  -0.414451D+00  0.860830D+01 -0.133086D+01 -0.516930D+01 -0.151624D+01
      5   0.136631D+02  0.584098D+00 -0.574839D+01 -0.243570D+00  0.192440D+02
      6   0.975708D+00 -0.144135D+01 -0.719762D+00  0.507042D+01  0.931447D+00
               251           252           253           254           255 
      1   0.449881D+00 -0.409044D+01 -0.862507D+02 -0.916786D+01  0.854520D+01
      2  -0.853789D+00 -0.170692D+02  0.470435D+02  0.145847D+02 -0.611902D+01
      3   0.403908D+00  0.211596D+02  0.392071D+02 -0.541688D+01 -0.242618D+01
      4  -0.804870D+01  0.835825D+00 -0.159583D+02  0.253449D+02  0.295125D+01
      5  -0.584976D+00 -0.455444D+02  0.117586D+02  0.138601D+00  0.877807D+01
      6   0.391102D+01 -0.437064D+01  0.616294D+01 -0.283312D-02  0.475861D+01
               256           257           258           259           260 
      1   0.159631D+02  0.340307D+02 -0.528229D+01  0.186917D+02 -0.448319D+01
      2   0.355688D+01 -0.258247D+02  0.111776D+02 -0.547034D+01  0.147317D+02
      3  -0.195200D+02 -0.820602D+01 -0.589528D+01 -0.132214D+02 -0.102485D+02
      4   0.394681D+02  0.630540D+00  0.177562D+02  0.126071D+02  0.245876D+02
      5   0.456299D+01  0.195717D+02 -0.507320D+01  0.108405D+02 -0.797580D+01
      6   0.358560D+01  0.136856D+02 -0.232182D+01  0.467590D+01 -0.397910D+01
               261           262           263           264           265 
      1   0.172328D+02  0.440980D+01 -0.675368D+01  0.564688D+00 -0.452068D+01
      2  -0.623336D+01  0.370901D+01 -0.369877D+01  0.279561D+00 -0.752570D+01
      3  -0.109994D+02 -0.811881D+01  0.104525D+02 -0.844250D+00  0.120464D+02
      4  -0.303953D+01 -0.135018D+02  0.194830D+02 -0.136455D+01  0.228540D+02
      5  -0.290571D+02 -0.440566D+00 -0.265734D+00  0.230367D+01 -0.263455D+00
      6  -0.140597D+02 -0.385166D+00  0.274328D+00 -0.830553D+00  0.607818D+00
               266           267           268           269           270 
      1  -0.100166D+02 -0.135428D+00  0.181173D+01  0.259424D+01 -0.138795D+01
      2   0.377133D+02 -0.212616D+01  0.363922D+01 -0.142178D+02  0.427270D+01
      3  -0.276967D+02  0.226159D+01 -0.545096D+01  0.116235D+02 -0.288475D+01
      4  -0.573517D+02  0.260555D+01 -0.101108D+02  0.240354D+02 -0.724926D+01
      5   0.828960D+00 -0.726108D+01  0.315145D+01 -0.645997D+01  0.229836D+01
      6  -0.108560D+01  0.517048D+01 -0.256600D+01  0.723813D+01 -0.262721D+01
               271           272           273           274           275 
      1   0.572361D+01  0.301780D+01  0.633002D+01 -0.212685D+01 -0.778784D+01
      2  -0.526219D+01 -0.354685D+01 -0.262963D+01 -0.220070D-01  0.546102D+01
      3  -0.461415D+00  0.529053D+00 -0.370039D+01  0.214886D+01  0.232683D+01
      4   0.102145D+01 -0.336428D+01  0.139139D+01 -0.207561D+01  0.142513D+01
      5   0.430916D+01 -0.294814D+00  0.198395D+00  0.746878D+00  0.484642D+01
      6   0.224181D+01 -0.104030D+01 -0.144218D+01  0.214833D+00  0.293097D+01
               276           277           278           279           280 
      1  -0.261676D+01  0.114636D+02 -0.305996D+01 -0.127994D+02  0.130741D+03
      2   0.199625D+01 -0.531374D+01  0.355688D+01 -0.314032D+01 -0.622454D+02
      3   0.620509D+00 -0.614981D+01 -0.496917D+00  0.159397D+02 -0.684961D+02
      4   0.469971D+01  0.875152D+01  0.123526D+02  0.862589D+01  0.480249D+02
      5   0.527152D+01  0.773998D+01  0.100688D+02  0.414771D+02 -0.523096D+01
      6   0.658724D+01  0.213060D+01  0.941888D+01  0.228804D+02 -0.226793D+01
               281           282           283           284           285 
      1   0.118562D+02 -0.538316D+01 -0.624619D+01  0.829242D+01  0.837574D+00
      2  -0.135210D+01  0.300187D+01  0.643123D+01 -0.187057D+01 -0.176083D+01
      3  -0.105041D+02  0.238129D+01 -0.185040D+00 -0.642185D+01  0.923252D+00
      4   0.196903D+02 -0.907270D+00  0.124456D+02  0.399119D+01 -0.254906D+01
      5   0.456362D-01  0.124085D+02 -0.297618D+00 -0.281944D+01 -0.923726D-01
      6   0.277045D+00  0.364502D+01 -0.217860D+00 -0.143271D+01  0.780870D+00
               286           287           288           289           290 
      1  -0.121574D+02 -0.455323D+00  0.100950D+02 -0.154563D-01  0.141547D+02
      2   0.586142D+01 -0.176453D+01 -0.614720D+01  0.312584D+01 -0.145368D+02
      3   0.629596D+01  0.221986D+01 -0.394776D+01 -0.311038D+01  0.382169D+00
      4  -0.581347D+01 -0.509459D+01  0.465037D+01  0.388805D+01 -0.678249D+01
      5   0.160544D+02  0.255891D+01 -0.718201D+00 -0.353624D+01  0.137181D+01
      6   0.442355D+01  0.209646D+01  0.463167D+00 -0.273962D+01  0.188225D+01
               291           292           293           294           295 
      1  -0.522443D+01  0.890530D+01 -0.306564D+02  0.690082D+01 -0.785185D+01
      2   0.375680D+01 -0.433187D+01  0.478740D+02 -0.100036D+02  0.284402D+01
      3   0.146763D+01 -0.457343D+01 -0.172175D+02  0.310281D+01  0.500783D+01
      4  -0.680982D+00  0.719778D+01  0.446865D+02 -0.106388D+02 -0.650880D+01
      5  -0.275194D+01 -0.817515D+00 -0.130097D+02  0.915141D+01  0.811769D+00
      6  -0.295226D+01 -0.380238D+00 -0.106235D+02  0.877801D+01 -0.246000D+00
               296           297 
      1   0.860032D+01 -0.910806D+01
      2  -0.136702D+02  0.799263D+01
      3   0.506987D+01  0.111543D+01
      4  -0.185468D+02  0.898811D+01
      5   0.112162D+02 -0.600850D+01
      6   0.108812D+02 -0.641120D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.403531D+00      0.102567D+01      0.342128D+01
   y         -0.196659D-02     -0.499856D-02     -0.166734D-01
   z          0.477743D+00      0.121430D+01      0.405048D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.206967D+03      0.306694D+02      0.341243D+02
   yx        -0.463358D+00     -0.686625D-01     -0.763974D-01
   yy         0.126884D+03      0.188023D+02      0.209204D+02
   zx         0.201432D+00      0.298491D-01      0.332116D-01
   zy        -0.506065D-01     -0.749910D-02     -0.834388D-02
   zz         0.145143D+03      0.215079D+02      0.239308D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167026D+03      0.247507D+02      0.275389D+02
   aniso      0.756480D+02      0.112099D+02      0.124727D+02
   xx         0.216163D+03      0.320321D+02      0.356405D+02
   yx        -0.393826D+00     -0.583589D-01     -0.649331D-01
   yy         0.132653D+03      0.196572D+02      0.218716D+02
   zx         0.606732D+00      0.899085D-01      0.100037D+00
   zy        -0.188072D+00     -0.278694D-01     -0.310089D-01
   zz         0.152261D+03      0.225628D+02      0.251045D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.35628412         -1.49730413          2.94051292
     6          2.05547858         -1.45735212          1.88994254
     6         -2.49559630         -1.25464841          1.43631060
     6         -2.28402527         -0.97930461         -1.16830369
     6          0.12700174         -0.94006781         -2.23444570
     6          2.25550401         -1.17505787         -0.72550377
     6          4.38661432         -1.63331218          3.50856039
     6          5.76038484          0.90865256          3.87786098
     6          8.23505352          0.50956942          5.31042548
     6          4.08696700          2.84472723          5.21320190
     6         -4.62932436         -0.77535690         -2.81412876
     6         -4.50928548          1.67555242         -4.29530484
     8         -3.68433655          1.91738560         -6.40149188
     8         -5.40304324          3.64785327         -2.93738034
     1         -0.56661558         -1.71199336          4.96559337
     1         -4.35100582         -1.28200302          2.30113698
     1          0.33655028         -0.71050606         -4.25671632
     1          4.11015398         -1.14151527         -1.59389629
     1          5.71040603         -2.97437160          2.65930994
     1          3.88575900         -2.39022330          5.36615261
     1          6.21430410          1.64488457          1.99657728
     1          9.46690361         -0.82408225          4.32898339
     1          7.87218885         -0.24112324          7.20146014
     1          9.26344529          2.28478768          5.52844923
     1          3.56913582          2.18017858          7.10114731
     1          2.34634789          3.19316456          4.16726981
     1          5.07367852          4.64345011          5.42982452
     1         -6.26138443         -0.64709785         -1.56188587
     6         -4.93011911         -3.03931338         -4.58658990
     1         -5.17418903          5.15072499         -3.96235958
     1         -3.35193315         -3.14982713         -5.90159305
     1         -6.66586380         -2.88831921         -5.68832980
     1         -4.99305448         -4.77873879         -3.48536316

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.625364D+00      0.158952D+01      0.530205D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.625364D+00      0.158952D+01      0.530205D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.159665D+03      0.236599D+02      0.263252D+02
   aniso      0.727000D+02      0.107730D+02      0.119866D+02
   xx         0.181026D+03      0.268252D+02      0.298471D+02
   yx        -0.287663D+00     -0.426272D-01     -0.474292D-01
   yy         0.126883D+03      0.188021D+02      0.209202D+02
   zx         0.305113D+02      0.452131D+01      0.503063D+01
   zy        -0.233752D+00     -0.346385D-01     -0.385405D-01
   zz         0.171086D+03      0.253523D+02      0.282082D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.167026D+03      0.247507D+02      0.275389D+02
   aniso      0.756480D+02      0.112099D+02      0.124727D+02
   xx         0.188957D+03      0.280006D+02      0.311548D+02
   yx        -0.144895D+00     -0.214712D-01     -0.238899D-01
   yy         0.132652D+03      0.196570D+02      0.218713D+02
   zx         0.316028D+02      0.468305D+01      0.521060D+01
   zy        -0.286937D+00     -0.425197D-01     -0.473096D-01
   zz         0.179469D+03      0.265946D+02      0.295905D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-16\Freq\RM11\Gen\C13H18O2\PIERPA\08-Sep-2021\0\\#P M1
 1/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Guess=R
 ead Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,0.859135,-0.79744
 5,1.307905\C,1.475419,-0.773087,0.059735\C,-0.519198,-0.667837,1.43071
 5\C,-1.322882,-0.517669,0.305982\C,-0.712213,-0.493664,-0.948233\C,0.6
 63373,-0.61923,-1.065423\C,2.970409,-0.867475,-0.082211\C,3.653427,0.4
 77889,-0.39778\C,5.142776,0.265827,-0.664323\C,3.434072,1.499169,0.716
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 Where a calculator on the ENIAC is equipped with 18,000
 vacuum tubes and weighs 30 tons, computers inthe future
 may  have only 1,000 vacuum tubes and weigh only 1 1/2 tons.
              ---Popular Mechanics, March 1949
 Job cpu time:       0 days 16 hours 47 minutes 16.1 seconds.
 Elapsed time:       0 days  2 hours  6 minutes  4.5 seconds.
 File lengths (MBytes):  RWF=    604 Int=      0 D2E=      0 Chk=     24 Scr=      2
 Normal termination of Gaussian 16 at Wed Sep  8 14:35:45 2021.
